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Home > Fluorides > 1381944-33-7
1381944-33-7 | [1,1'-Biphenyl]-4-carbonitrile, 3-fluoro-3'-(phenylmethoxy)-
CAS No: 1381944-33-7 Catalog No: AG00185V MDL No:MFCD22375061
Product Description
Catalog Number:
AG00185V
Chemical Name:
[1,1'-Biphenyl]-4-carbonitrile, 3-fluoro-3'-(phenylmethoxy)-
CAS Number:
1381944-33-7
Molecular Formula:
C20H14FNO
Molecular Weight:
303.3297
MDL Number:
MFCD22375061
IUPAC Name:
2-fluoro-4-(3-phenylmethoxyphenyl)benzonitrile
InChI:
InChI=1S/C20H14FNO/c21-20-12-17(9-10-18(20)13-22)16-7-4-8-19(11-16)23-14-15-5-2-1-3-6-15/h1-12H,14H2
InChI Key:
FSJCJAYFXZOVGU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1F)c1cccc(c1)OCc1ccccc1
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.106g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.336g/mol
Monoisotopic Mass:
303.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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