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101513-77-3 | Benzoic acid, 3-chloro-2,4,5-trifluoro-
CAS No: 101513-77-3 Catalog No: AG0004P5 MDL No:MFCD00153101
Product Description
Catalog Number:
AG0004P5
Chemical Name:
Benzoic acid, 3-chloro-2,4,5-trifluoro-
CAS Number:
101513-77-3
Molecular Formula:
C7H2ClF3O2
Molecular Weight:
210.5378
MDL Number:
MFCD00153101
IUPAC Name:
3-chloro-2,4,5-trifluorobenzoic acid
InChI:
InChI=1S/C7H2ClF3O2/c8-4-5(10)2(7(12)13)1-3(9)6(4)11/h1H,(H,12,13)
InChI Key:
KBESHLYCSZINAJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1F)Cl)F
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.97g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.536g/mol
Monoisotopic Mass:
209.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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