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1365272-36-1 | [1,1'-Biphenyl]-3-carbonitrile, 3',4'-dichloro-
CAS No: 1365272-36-1 Catalog No: AG00120F MDL No:MFCD21609625
Product Description
Catalog Number:
AG00120F
Chemical Name:
[1,1'-Biphenyl]-3-carbonitrile, 3',4'-dichloro-
CAS Number:
1365272-36-1
Molecular Formula:
C13H7Cl2N
Molecular Weight:
248.1074
MDL Number:
MFCD21609625
IUPAC Name:
3-(3,4-dichlorophenyl)benzonitrile
InChI:
InChI=1S/C13H7Cl2N/c14-12-5-4-11(7-13(12)15)10-3-1-2-9(6-10)8-16/h1-7H
InChI Key:
VYAILQQUZKYPQL-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
283
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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