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88796-36-5 | 1H-Pyrrole-3-carboxamide, 4-amino-1-phenyl-
CAS No: 88796-36-5 Catalog No: AG004B0Q MDL No:
Product Description
Catalog Number:
AG004B0Q
Chemical Name:
1H-Pyrrole-3-carboxamide, 4-amino-1-phenyl-
CAS Number:
88796-36-5
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
IUPAC Name:
4-amino-1-phenylpyrrole-3-carboxamide
InChI:
InChI=1S/C11H11N3O/c12-10-7-14(6-9(10)11(13)15)8-4-2-1-3-5-8/h1-7H,12H2,(H2,13,15)
InChI Key:
NVGZDERAIUSBNH-UHFFFAOYSA-N
SMILES:
NC(=O)c1cn(cc1N)c1ccccc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.229g/mol
Monoisotopic Mass:
201.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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