Cas no 112062-61-0 (Benzoic acid, 2,3-dichloro-4,5-difluoro-)
112062-61-0 structure
Product Name:Benzoic acid, 2,3-dichloro-4,5-difluoro-
CAS No:112062-61-0
MF:C7H2Cl2F2O2
MW:226.992387294769
CID:1199793
PubChem ID:13938036
Update Time:2025-04-20
Benzoic acid, 2,3-dichloro-4,5-difluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,3-dichloro-4,5-difluoro-
- 2,3-dichloro-4,5-difluorobenzoic acid
- LPDOHCZLFZKSLU-UHFFFAOYSA-N
- SCHEMBL8373793
- DTXSID50552903
- 112062-61-0
- AKOS020024316
- 2,3-Dichloro-4,5-difluoro-Benzoic acid
-
- Inchi： 1S/C7H2Cl2F2O2/c8-4-2(7(12)13)1-3(10)6(11)5(4)9/h1H,(H,12,13)
- InChI Key： LPDOHCZLFZKSLU-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C(=CC=1C(=O)O)F)F)Cl
Computed Properties
- Exact Mass: 225.94006
- Monoisotopic Mass: 225.9399910g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 215
- 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: 2.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Benzoic acid, 2,3-dichloro-4,5-difluoro- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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