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1214352-57-4

1214352-57-4 | [1,1'-Biphenyl]-3-carbonitrile, 5-fluoro-

CAS No: 1214352-57-4 Catalog No: AG0014W3 MDL No:MFCD14701726

Product Description

Catalog Number:
AG0014W3
Chemical Name:
[1,1'-Biphenyl]-3-carbonitrile, 5-fluoro-
CAS Number:
1214352-57-4
Molecular Formula:
C13H8FN
Molecular Weight:
197.2077
MDL Number:
MFCD14701726
IUPAC Name:
3-fluoro-5-phenylbenzonitrile
InChI:
InChI=1S/C13H8FN/c14-13-7-10(9-15)6-12(8-13)11-4-2-1-3-5-11/h1-8H
InChI Key:
CWWIHXBPWBQZNC-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)cc(c1)c1ccccc1

Properties

Complexity:
249  
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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