Cas no 77605-72-2 (Benzoic acid,2-[[3-chloro-2-(hydroxymethyl)phenyl]amino]-)
![Benzoic acid,2-[[3-chloro-2-(hydroxymethyl)phenyl]amino]- structure](https://ossimg.kuujia.com/scimg/78000/77605-72-2x500.png)
77605-72-2 structure
Product Name:Benzoic acid,2-[[3-chloro-2-(hydroxymethyl)phenyl]amino]-
CAS No:77605-72-2
MF:C14H12ClNO3
MW:277.702982902527
CID:570061
PubChem ID:53703
Update Time:2025-04-19
Benzoic acid,2-[[3-chloro-2-(hydroxymethyl)phenyl]amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-[[3-chloro-2-(hydroxymethyl)phenyl]amino]-
- N-(3-chloro-2-hydroxymethylphenyl)anthranilic acid
- 2-[3-chloro-2-(hydroxymethyl)anilino]benzoic acid
- DTXSID30228270
- 65A70DKY8V
- 2-((3-CHLORANYL-2-(HYDROXYMETHYL)PHENYL)AMINO)BENZOIC ACID
- N-(2'-hydroxymethyl-3'-chloro-phenyl)anthranilic acid
- UNII-65A70DKY8V
- 77605-72-2
- BENZOIC ACID, 2-((3-CHLORO-2-(HYDROXYMETHYL)PHENYL)AMINO)-
- 2-{[3-Chloro-2-(hydroxymethyl)phenyl]amino}benzoic acid
- N-(2-Hydroxymethyl-3-chlorophenyl)anthranilic acid
-
- Inchi： 1S/C14H12ClNO3/c15-11-5-3-7-13(10(11)8-17)16-12-6-2-1-4-9(12)14(18)19/h1-7,16-17H,8H2,(H,18,19)
- InChI Key： BMLZYLYIEWXTCM-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1CO)NC1C=CC=CC=1C(=O)O
Computed Properties
- Exact Mass: 277.05066
- Monoisotopic Mass: 277.0505709g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 313
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 69.6?2
Experimental Properties
- PSA: 69.56
Benzoic acid,2-[[3-chloro-2-(hydroxymethyl)phenyl]amino]- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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