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17543-94-1 | 1H-Pyrrole-2-carboxamide, 5-bromo-
CAS No: 17543-94-1 Catalog No: AG0020ZB MDL No:MFCD09801029
Product Description
Catalog Number:
AG0020ZB
Chemical Name:
1H-Pyrrole-2-carboxamide, 5-bromo-
CAS Number:
17543-94-1
Molecular Formula:
C5H5BrN2O
Molecular Weight:
189.0100
MDL Number:
MFCD09801029
IUPAC Name:
5-bromo-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C5H5BrN2O/c6-4-2-1-3(8-4)5(7)9/h1-2,8H,(H2,7,9)
InChI Key:
IUCIXLJBQZTUQS-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc([nH]1)Br
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.959g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.012g/mol
Monoisotopic Mass:
187.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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