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1365271-88-0 | [1,1'-Biphenyl]-3-carboxylic acid, 4'-cyano-5-fluoro-, methyl ester
CAS No: 1365271-88-0 Catalog No: AG001200 MDL No:MFCD21609627
Product Description
Catalog Number:
AG001200
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 4'-cyano-5-fluoro-, methyl ester
CAS Number:
1365271-88-0
Molecular Formula:
C15H10FNO2
Molecular Weight:
255.2438
MDL Number:
MFCD21609627
IUPAC Name:
methyl 3-(4-cyanophenyl)-5-fluorobenzoate
InChI:
InChI=1S/C15H10FNO2/c1-19-15(18)13-6-12(7-14(16)8-13)11-4-2-10(9-17)3-5-11/h2-8H,1H3
InChI Key:
ZOILPNVIEFAOOZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cc(F)cc(c1)C(=O)OC
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.248g/mol
Monoisotopic Mass:
255.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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