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1403942-69-7 | 1H-Pyrrole-2-carboxaMide, 3-broMo-N-phenyl-
CAS No: 1403942-69-7 Catalog No: AG001CBV MDL No:
Product Description
Catalog Number:
AG001CBV
Chemical Name:
1H-Pyrrole-2-carboxaMide, 3-broMo-N-phenyl-
CAS Number:
1403942-69-7
Molecular Formula:
C11H9BrN2O
Molecular Weight:
265.1060
IUPAC Name:
3-bromo-N-phenyl-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C11H9BrN2O/c12-9-6-7-13-10(9)11(15)14-8-4-2-1-3-5-8/h1-7,13H,(H,14,15)
InChI Key:
ORBAZYSQCOOBQZ-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]ccc1Br)Nc1ccccc1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.99g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.11g/mol
Monoisotopic Mass:
263.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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