Cas no 30247-86-0 (Benzoic acid,2-(chlorocarbonyl)-)
30247-86-0 structure
Product Name:Benzoic acid,2-(chlorocarbonyl)-
CAS No:30247-86-0
MF:C8H5ClO3
MW:184.576501607895
CID:297248
PubChem ID:12500664
Update Time:2025-04-19
Benzoic acid,2-(chlorocarbonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-(chlorocarbonyl)-
- 2-carbonochloridoylbenzoic acid
- Benzoicacid, o-(chloroformyl)- (8CI)
- o-(Chloroformyl)benzoicacid
- o-Carboxybenzoyl chloride
- Phthaloyl monochloride
- 30247-86-0
- Phthalsauremonochlorid
- DTXSID80500538
- SCHEMBL696197
- 2-(Chlorocarbonyl)benzoic acid
-
- Inchi： 1S/C8H5ClO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,11,12)
- InChI Key： RXNOYRCWKRFNIM-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC=CC=1C(=O)O)=O
Computed Properties
- Exact Mass: 183.99275
- Monoisotopic Mass: 183.9927217g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 203
- 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: 1.7
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
Benzoic acid,2-(chlorocarbonyl)- Related Literature
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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