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1261977-67-6 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-cyano-6-fluoro-
CAS No: 1261977-67-6 Catalog No: AG000SB1 MDL No:MFCD18319125
Product Description
Catalog Number:
AG000SB1
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-cyano-6-fluoro-
CAS Number:
1261977-67-6
Molecular Formula:
C14H8FNO2
Molecular Weight:
241.2172
MDL Number:
MFCD18319125
IUPAC Name:
3-(3-cyanophenyl)-4-fluorobenzoic acid
InChI:
InChI=1S/C14H8FNO2/c15-13-5-4-11(14(17)18)7-12(13)10-3-1-2-9(6-10)8-16/h1-7H,(H,17,18)
InChI Key:
SHAXFUGKVKKRTB-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1cc(ccc1F)C(=O)O
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.221g/mol
Monoisotopic Mass:
241.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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