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124476-80-8 | 1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-chlorophenyl)-4,5-dihydro-5-oxo-
CAS No: 124476-80-8 Catalog No: AG000M30 MDL No:MFCD00496418
Product Description
Catalog Number:
AG000M30
Chemical Name:
1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-chlorophenyl)-4,5-dihydro-5-oxo-
CAS Number:
124476-80-8
Molecular Formula:
C11H8ClN3O
Molecular Weight:
233.6537
MDL Number:
MFCD00496418
IUPAC Name:
5-amino-1-(4-chlorophenyl)-2-oxo-3H-pyrrole-4-carbonitrile
InChI:
InChI=1S/C11H8ClN3O/c12-8-1-3-9(4-2-8)15-10(16)5-7(6-13)11(15)14/h1-4H,5,14H2
InChI Key:
SKDFEZVCPXFKTC-UHFFFAOYSA-N
SMILES:
N#CC1=C(N)N(C(=O)C1)c1ccc(cc1)Cl
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.655g/mol
Monoisotopic Mass:
233.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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