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Home > Fluorides > 181073-82-5
181073-82-5 | Benzoic acid, 4-cyano-2,6-difluoro-
CAS No: 181073-82-5 Catalog No: AG0022NF MDL No:MFCD09835199
Product Description
Catalog Number:
AG0022NF
Chemical Name:
Benzoic acid, 4-cyano-2,6-difluoro-
CAS Number:
181073-82-5
Molecular Formula:
C8H3F2NO2
Molecular Weight:
183.1117
MDL Number:
MFCD09835199
IUPAC Name:
4-cyano-2,6-difluorobenzoic acid
InChI:
InChI=1S/C8H3F2NO2/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,(H,12,13)
InChI Key:
QJDLXGDIYHMIDN-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(c(c1)F)C(=O)O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.013g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.114g/mol
Monoisotopic Mass:
183.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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