Cas no 40759-77-1 (2-(Dichloromethyl)benzoic acid)
40759-77-1 structure
Product Name:2-(Dichloromethyl)benzoic acid
CAS No:40759-77-1
MF:C8H6Cl2O2
MW:205.03804063797
CID:2667293
PubChem ID:13231000
Update Time:2025-04-21
2-(Dichloromethyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(dichloromethyl)benzoic acid
- 2-Dichloromethylbenzoic acid
- 40759-77-1
- SCHEMBL8607508
- DTXSID90530482
- 2-(Dichloromethyl)benzoic acid
-
- Inchi： 1S/C8H6Cl2O2/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7H,(H,11,12)
- InChI Key： IHVPBONIOHGKDJ-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC=CC=1C(=O)O)Cl
Computed Properties
- Exact Mass: 203.9744848Da
- Monoisotopic Mass: 203.9744848Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 170
- 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: 3.2
- Topological Polar Surface Area: 37.3?2
2-(Dichloromethyl)benzoic acid Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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