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1237749-88-0 | [1,1'-Biphenyl]-4-carbonitrile, 3'-chloro-5'-fluoro-
CAS No: 1237749-88-0 Catalog No: AG000L24 MDL No:MFCD21609628
Product Description
Catalog Number:
AG000L24
Chemical Name:
[1,1'-Biphenyl]-4-carbonitrile, 3'-chloro-5'-fluoro-
CAS Number:
1237749-88-0
Molecular Formula:
C13H7ClFN
Molecular Weight:
231.6528
MDL Number:
MFCD21609628
IUPAC Name:
4-(3-chloro-5-fluorophenyl)benzonitrile
InChI:
InChI=1S/C13H7ClFN/c14-12-5-11(6-13(15)7-12)10-3-1-9(8-16)2-4-10/h1-7H
InChI Key:
MIDWMQUVIBOKEL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cc(F)cc(c1)Cl
Properties
Complexity:
277
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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