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87388-68-9 | 1H-Pyrrole-3-carbonitrile, 4-(6-chloro-2-pyridinyl)-
CAS No: 87388-68-9 Catalog No: AG004JWF MDL No:
Product Description
Catalog Number:
AG004JWF
Chemical Name:
1H-Pyrrole-3-carbonitrile, 4-(6-chloro-2-pyridinyl)-
CAS Number:
87388-68-9
Molecular Formula:
C10H6ClN3
Molecular Weight:
203.6277
IUPAC Name:
4-(6-chloropyridin-2-yl)-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C10H6ClN3/c11-10-3-1-2-9(14-10)8-6-13-5-7(8)4-12/h1-3,5-6,13H
InChI Key:
GUGGAOZQYNBYEB-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]cc1c1cccc(n1)Cl
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.629g/mol
Monoisotopic Mass:
203.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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