methyl 3'-cyano-3-fluoro-[1,1'-biphenyl]-4-carboxylate

methyl 3'-cyano-3-fluoro-[1,1'-biphenyl]-4-carboxylate

CAS: 1365272-67-8

Formula: C15H10FNO2

SMILES: COC(=O)C1=CC=C(C=C1F)C1=CC=CC(=C1)C#N

IUPAC: methyl 3'-cyano-3-fluoro-[1,1'-biphenyl]-4-carboxylate

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

Composition: C (70.58%), H (3.95%), F (7.44%), N (5.49%), O (12.54%)

Molar Mass: 255.248

Atom Count: 29

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	255.069556729
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	VAIMVURSIJCBBI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.16
Topological Polar Surface Area	50.09
Polarizability	27.17
Ring Count	2
Rotatable Bond Count	3

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