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130025-33-1 | Benzoic acid, 5-chloro-2,4-difluoro-
CAS No: 130025-33-1 Catalog No: AG000TWV MDL No:MFCD06658163
Product Description
Catalog Number:
AG000TWV
Chemical Name:
Benzoic acid, 5-chloro-2,4-difluoro-
CAS Number:
130025-33-1
Molecular Formula:
C7H3ClF2O2
Molecular Weight:
192.5473
MDL Number:
MFCD06658163
IUPAC Name:
5-chloro-2,4-difluorobenzoic acid
InChI:
InChI=1S/C7H3ClF2O2/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2H,(H,11,12)
InChI Key:
VXBQLSVFGIFOPQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Cl)c(cc1F)F
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.546g/mol
Monoisotopic Mass:
191.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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