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1242339-67-8 | Benzoic acid, 2-chloro-4,6-difluoro-
CAS No: 1242339-67-8 Catalog No: AG000LQY MDL No:MFCD16250104
Product Description
Catalog Number:
AG000LQY
Chemical Name:
Benzoic acid, 2-chloro-4,6-difluoro-
CAS Number:
1242339-67-8
Molecular Formula:
C7H3ClF2O2
Molecular Weight:
192.5473
MDL Number:
MFCD16250104
IUPAC Name:
2-chloro-4,6-difluorobenzoic acid
InChI:
InChI=1S/C7H3ClF2O2/c8-4-1-3(9)2-5(10)6(4)7(11)12/h1-2H,(H,11,12)
InChI Key:
SHCCCLQAWAYTLM-UHFFFAOYSA-N
SMILES:
Fc1cc(F)c(c(c1)Cl)C(=O)O
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:
2.2
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