Cas no 41998-16-7 (Benzoic acid,2-chloro-, phenyl ester)
41998-16-7 structure
Product Name:Benzoic acid,2-chloro-, phenyl ester
CAS No:41998-16-7
MF:C13H9ClO2
MW:232.66236281395
CID:334449
PubChem ID:251433
Update Time:2025-04-19
Benzoic acid,2-chloro-, phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-chloro-, phenyl ester
- phenyl 2-chlorobenzoate
- 2-Chlorobenzoic acid, phenyl ester
- RBKABBZAJGDBFA-UHFFFAOYSA-N
- phenyl o-chlorobenzoate
- Phenyl 2-chlorobenzoate #
- NCIOpen2_003608
- AKOS002710505
- NS00124907
- SCHEMBL1133083
- DTXSID60290920
- 41998-16-7
- NSC-71812
- Benzoic acid, 2-chloro-, phenyl ester
- NSC71812
-
- Inchi： 1S/C13H9ClO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9H
- InChI Key： RBKABBZAJGDBFA-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1C(=O)OC1C=CC=CC=1
Computed Properties
- Exact Mass: 232.02917
- Monoisotopic Mass: 232.0291072g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 236
- 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: 3.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid,2-chloro-, phenyl ester Related Literature
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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