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Home > Fluorides > 164149-28-4
164149-28-4 | Benzoic acid, 4-cyano-2-fluoro-
CAS No: 164149-28-4 Catalog No: AG001UO2 MDL No:MFCD03094454
Product Description
Catalog Number:
AG001UO2
Chemical Name:
Benzoic acid, 4-cyano-2-fluoro-
CAS Number:
164149-28-4
Molecular Formula:
C8H4FNO2
Molecular Weight:
165.1213
MDL Number:
MFCD03094454
IUPAC Name:
4-cyano-2-fluorobenzoic acid
InChI:
InChI=1S/C8H4FNO2/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3H,(H,11,12)
InChI Key:
KEJMSTJTAWACNI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)C(=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:
1.6
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