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1365272-66-7 | [1,1'-Biphenyl]-3-carbonitrile, 3'-chloro-4'-fluoro-
CAS No: 1365272-66-7 Catalog No: AG001217 MDL No:MFCD21609626
Product Description
Catalog Number:
AG001217
Chemical Name:
[1,1'-Biphenyl]-3-carbonitrile, 3'-chloro-4'-fluoro-
CAS Number:
1365272-66-7
Molecular Formula:
C13H7ClFN
Molecular Weight:
231.6528
MDL Number:
MFCD21609626
IUPAC Name:
3-(3-chloro-4-fluorophenyl)benzonitrile
InChI:
InChI=1S/C13H7ClFN/c14-12-7-11(4-5-13(12)15)10-3-1-2-9(6-10)8-16/h1-7H
InChI Key:
HSHQJPCMYPHEFP-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1ccc(c(c1)Cl)F
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.025g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.654g/mol
Monoisotopic Mass:
231.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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