Home Other Building Blocks 4-cyano-3,5-difluorobenzoic acid

4-cyano-3,5-difluorobenzoic acid

CAS No.:
1427084-20-5
Catalog Number:
AG01AN53
Molecular Formula:
C8H3F2NO2
Molecular Weight:
183.1117
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Product Description
Catalog Number:
AG01AN53
Chemical Name:
4-cyano-3,5-difluorobenzoic acid
CAS Number:
1427084-20-5
Molecular Formula:
C8H3F2NO2
Molecular Weight:
183.1117
MDL Number:
MFCD24038828
IUPAC Name:
4-cyano-3,5-difluorobenzoic acid
InChI:
InChI=1S/C8H3F2NO2/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-2H,(H,12,13)
InChI Key:
ANKDONHOKXFXPO-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)cc(cc1F)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  
Properties