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122453-02-5 | 1H-Pyrrole-3-carbonitrile, 2-(4-chlorophenyl)-
CAS No: 122453-02-5 Catalog No: AG00178J MDL No:MFCD22049103
Product Description
Catalog Number:
AG00178J
Chemical Name:
1H-Pyrrole-3-carbonitrile, 2-(4-chlorophenyl)-
CAS Number:
122453-02-5
Molecular Formula:
C11H7ClN2
Molecular Weight:
202.6397
MDL Number:
MFCD22049103
IUPAC Name:
2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C11H7ClN2/c12-10-3-1-8(2-4-10)11-9(7-13)5-6-14-11/h1-6,14H
InChI Key:
AYHPEZVIRQXWOM-UHFFFAOYSA-N
SMILES:
N#Cc1cc[nH]c1c1ccc(cc1)Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.641g/mol
Monoisotopic Mass:
202.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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