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Home > Fluorides > 1214379-33-5
1214379-33-5 | Benzoic acid, 2-cyano-3-fluoro-
CAS No: 1214379-33-5 Catalog No: AG0014XQ MDL No:MFCD14702324
Product Description
Catalog Number:
AG0014XQ
Chemical Name:
Benzoic acid, 2-cyano-3-fluoro-
CAS Number:
1214379-33-5
Molecular Formula:
C8H4FNO2
Molecular Weight:
165.1213
MDL Number:
MFCD14702324
IUPAC Name:
2-cyano-3-fluorobenzoic acid
InChI:
InChI=1S/C8H4FNO2/c9-7-3-1-2-5(8(11)12)6(7)4-10/h1-3H,(H,11,12)
InChI Key:
LMZPDUDNUCZPQQ-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)cccc1C(=O)O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.023g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.123g/mol
Monoisotopic Mass:
165.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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