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Home > Fluorides > 1381944-81-5
1381944-81-5 | [1,1'-Biphenyl]-4-carbonitrile, 3-fluoro-3'-methyl-
CAS No: 1381944-81-5 Catalog No: AG00187F MDL No:MFCD22375071
Product Description
Catalog Number:
AG00187F
Chemical Name:
[1,1'-Biphenyl]-4-carbonitrile, 3-fluoro-3'-methyl-
CAS Number:
1381944-81-5
Molecular Formula:
C14H10FN
Molecular Weight:
211.2343
MDL Number:
MFCD22375071
IUPAC Name:
2-fluoro-4-(3-methylphenyl)benzonitrile
InChI:
InChI=1S/C14H10FN/c1-10-3-2-4-11(7-10)12-5-6-13(9-16)14(15)8-12/h2-8H,1H3
InChI Key:
OQXOVHWHFHLROE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1F)c1cccc(c1)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.239g/mol
Monoisotopic Mass:
211.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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