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1260497-25-3 | [1,1'-Biphenyl]-4-carbonitrile, 3',4'-dichloro-
CAS No: 1260497-25-3 Catalog No: AG000QTY MDL No:MFCD21609631
Product Description
Catalog Number:
AG000QTY
Chemical Name:
[1,1'-Biphenyl]-4-carbonitrile, 3',4'-dichloro-
CAS Number:
1260497-25-3
Molecular Formula:
C13H7Cl2N
Molecular Weight:
248.1074
MDL Number:
MFCD21609631
IUPAC Name:
4-(3,4-dichlorophenyl)benzonitrile
InChI:
InChI=1S/C13H7Cl2N/c14-12-6-5-11(7-13(12)15)10-3-1-9(8-16)2-4-10/h1-7H
InChI Key:
XKKHXUBQXXOEKO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.996g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.106g/mol
Monoisotopic Mass:
246.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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