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136978-66-0 | 1H-Pyrrole-3-carbonitrile, 2-(4-chlorophenyl)-1-hydroxy-
CAS No: 136978-66-0 Catalog No: AG0012MC MDL No:
Product Description
Catalog Number:
AG0012MC
Chemical Name:
1H-Pyrrole-3-carbonitrile, 2-(4-chlorophenyl)-1-hydroxy-
CAS Number:
136978-66-0
Molecular Formula:
C11H7ClN2O
Molecular Weight:
218.6391
IUPAC Name:
2-(4-chlorophenyl)-1-hydroxypyrrole-3-carbonitrile
InChI:
InChI=1S/C11H7ClN2O/c12-10-3-1-8(2-4-10)11-9(7-13)5-6-14(11)15/h1-6,15H
InChI Key:
DAZBPCBORBGVQS-UHFFFAOYSA-N
SMILES:
N#Cc1ccn(c1c1ccc(cc1)Cl)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.025g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.64g/mol
Monoisotopic Mass:
218.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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