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87948-05-8 | Acetamide, N-[2-(methyl-1H-pyrrol-1-ylamino)phenyl]-
CAS No: 87948-05-8 Catalog No: AG004D57 MDL No:
Product Description
Catalog Number:
AG004D57
Chemical Name:
Acetamide, N-[2-(methyl-1H-pyrrol-1-ylamino)phenyl]-
CAS Number:
87948-05-8
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
IUPAC Name:
N-[2-[methyl(pyrrol-1-yl)amino]phenyl]acetamide
InChI:
InChI=1S/C13H15N3O/c1-11(17)14-12-7-3-4-8-13(12)15(2)16-9-5-6-10-16/h3-10H,1-2H3,(H,14,17)
InChI Key:
NZUFRNKFAABWFP-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccccc1N(n1cccc1)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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