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144154-31-4 | Benzoic acid, 2-chloro-3,4,5-trifluoro-
CAS No: 144154-31-4 Catalog No: AG001J0K MDL No:
Product Description
Catalog Number:
AG001J0K
Chemical Name:
Benzoic acid, 2-chloro-3,4,5-trifluoro-
CAS Number:
144154-31-4
Molecular Formula:
C7H2ClF3O2
Molecular Weight:
210.5378
IUPAC Name:
2-chloro-3,4,5-trifluorobenzoic acid
InChI:
InChI=1S/C7H2ClF3O2/c8-4-2(7(12)13)1-3(9)5(10)6(4)11/h1H,(H,12,13)
InChI Key:
DQNRGCOFANDGOF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1Cl)F)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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