Benzoic acid, 2-hydroxy-, 2-chlorophenyl ester
- CAS No.: 40501-42-6
- Molecular Weight：248.66176
- Modify Date.: 2023-05-18 21:25
1. Names and Identifiers
- 1.1 Name
- Benzoic acid, 2-hydroxy-, 2-chlorophenyl ester
- 1.2 Synonyms
2-Chlorophenyl 2-hydroxybenzoate 2-Chlorophenyl salicylate o-Chlorophenyl salicylate Salicylsaeure-(2-chlor-phenylester) Salicylsaeure-o-chlorphenylester
- 1.3 CAS No.
- 40501-42-6
- 1.4 CID
- 14223963
- 1.5 Molecular Formula
- C13H9ClO3 (isomer)
- 1.6 Inchi
- InChI=1S/C13H9ClO3/c14-10-6-2-4-8-12(10)17-13(16)9-5-1-3-7-11(9)15/h1-8,15H
- 1.7 InChIkey
- FWSWFCIRSUDUOM-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2Cl)O
- 1.9 Isomers Smiles
- C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2Cl)O
2. Properties
- 2.1 Density
- 1.4±0.1 g/cm3 (Predicted)
- 2.1 Melting point
- 53-54 °C @ Solvent: Ethanol
- 2.1 Boiling point
- 395.0±22.0 °C at 760 mmHg (Predicted)
- 2.1 Refractive index
- 1.624 (Predicted)
- 2.1 Flash Point
- 192.7±22.3 °C (Predicted)
- 2.1 PSA
- 46.53000
- 2.1 logP
- 3.26480
3. Computational chemical data
- Molecular Weight: 248.66176g/mol
- Molecular Formula: C13H9ClO3
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 248.0240218
- Monoisotopic Mass: 248.0240218
- Complexity: 269
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Topological Polar Surface Area: 46.5
- Heavy Atom Count: 17
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBwMAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgIACAAADAaAmCAwDoAABgCIAiDSCAACCAAkJUAIiAEGC8gMJzeHNxqCe2Cl4BEIuYeIyCCOAAAAAAAICAAAAAAAABAQAAAAAAAAAA==
4. Recommended Suppliers
-
- Products:3,5-Dibromoanisole,5-Fluoro-2-nitroanisole,Doxorubicin hydrochloride,Diethyl 4-oxoheptanedioate,1,5-Diphenylpenta-1,4-dien-3-one,3,5-Dimethoxy-4-hydroxycinnamic acid
- Tel:86-571-87396430
-
- Products:Pharmaceutical Discovery
- Tel:86-21-61900721
5. Realated Product Infomation
-
126165-45-5
Benzoic acid, 2-hydroxy-, 3-chlorophenyl ester
-
85392-26-3
Benzoic acid,4-hydroxy-, (3-chlorophenyl)methyl ester
-
172976-68-0
4-[(2-Chlorophenyl)(Hydroxy)Phenylmethyl]Benzoic Acid
-
1321-50-2
Benzoic acid, hydroxy-,ethyl ester
-
77513-40-7
Benzoic acid, 3-hydroxy-, phenylMethyl ester
-
7414-81-5
Benzoic acid,4-hydroxy-, tributylstannyl ester
-
190085-41-7
Benzoic acid, 2-hydroxy-, 2-butyloctyl ester
![4-[(2-Chlorophenyl)(Hydroxy)Phenylmethyl]Benzoic Acid](https://structimg.guidechem.com/2/2/223381.png)
skype
