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Home > Fluorides > 1381944-62-2
1381944-62-2 | [1,1'-Biphenyl]-4-carbonitrile, 3-fluoro-3'-methoxy-
CAS No: 1381944-62-2 Catalog No: AG00186J MDL No:MFCD22375069
Product Description
Catalog Number:
AG00186J
Chemical Name:
[1,1'-Biphenyl]-4-carbonitrile, 3-fluoro-3'-methoxy-
CAS Number:
1381944-62-2
Molecular Formula:
C14H10FNO
Molecular Weight:
227.2337
MDL Number:
MFCD22375069
IUPAC Name:
2-fluoro-4-(3-methoxyphenyl)benzonitrile
InChI:
InChI=1S/C14H10FNO/c1-17-13-4-2-3-10(7-13)11-5-6-12(9-16)14(15)8-11/h2-8H,1H3
InChI Key:
RSVFSVRNEYXKDZ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1ccc(c(c1)F)C#N
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.238g/mol
Monoisotopic Mass:
227.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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