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1365272-67-8 | [1,1'-Biphenyl]-4-carboxylic acid, 3'-cyano-3-fluoro-, methyl ester
CAS No: 1365272-67-8 Catalog No: AG001216 MDL No:MFCD21609639
Product Description
Catalog Number:
AG001216
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3'-cyano-3-fluoro-, methyl ester
CAS Number:
1365272-67-8
Molecular Formula:
C15H10FNO2
Molecular Weight:
255.2438
MDL Number:
MFCD21609639
IUPAC Name:
methyl 4-(3-cyanophenyl)-2-fluorobenzoate
InChI:
InChI=1S/C15H10FNO2/c1-19-15(18)13-6-5-12(8-14(13)16)11-4-2-3-10(7-11)9-17/h2-8H,1H3
InChI Key:
VAIMVURSIJCBBI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1F)c1cccc(c1)C#N
Properties
Complexity:
376
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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