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Home > Fluorides > 893734-52-6
893734-52-6 | 4-(3-Fluorophenyl)benzonitrile
CAS No: 893734-52-6 Catalog No: AG003YUX MDL No:MFCD05981077
Product Description
Catalog Number:
AG003YUX
Chemical Name:
4-(3-Fluorophenyl)benzonitrile
CAS Number:
893734-52-6
Molecular Formula:
C13H8FN
Molecular Weight:
197.2077
MDL Number:
MFCD05981077
IUPAC Name:
4-(3-fluorophenyl)benzonitrile
InChI:
InChI=1S/C13H8FN/c14-13-3-1-2-12(8-13)11-6-4-10(9-15)5-7-11/h1-8H
InChI Key:
UYVGIYZVAXQZQD-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cccc(c1)F
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.212g/mol
Monoisotopic Mass:
197.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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