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1365271-33-5 | [1,1'-Biphenyl]-4-carbonitrile, 2'-chloro-5'-methoxy-
CAS No: 1365271-33-5 Catalog No: AG0011Y2 MDL No:MFCD21609629
Product Description
Catalog Number:
AG0011Y2
Chemical Name:
[1,1'-Biphenyl]-4-carbonitrile, 2'-chloro-5'-methoxy-
CAS Number:
1365271-33-5
Molecular Formula:
C14H10ClNO
Molecular Weight:
243.6883
MDL Number:
MFCD21609629
IUPAC Name:
4-(2-chloro-5-methoxyphenyl)benzonitrile
InChI:
InChI=1S/C14H10ClNO/c1-17-12-6-7-14(15)13(8-12)11-4-2-10(9-16)3-5-11/h2-8H,1H3
InChI Key:
ZNRWZCUWCOHBBW-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)c1ccc(cc1)C#N)Cl
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.69g/mol
Monoisotopic Mass:
243.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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