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150444-95-4 | Benzoic acid, 3-chloro-4,5-difluoro-
CAS No: 150444-95-4 Catalog No: AG001MN1 MDL No:MFCD04972707
Product Description
Catalog Number:
AG001MN1
Chemical Name:
Benzoic acid, 3-chloro-4,5-difluoro-
CAS Number:
150444-95-4
Molecular Formula:
C7H3ClF2O2
Molecular Weight:
192.5473
MDL Number:
MFCD04972707
IUPAC Name:
3-chloro-4,5-difluorobenzoic acid
InChI:
InChI=1S/C7H3ClF2O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
InChI Key:
RRJYBDSJDKWHOS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1)Cl)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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