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132911-44-5 | 1H-Pyrrole-2-carboxamide, 4,5-dibromo-N-methyl-
CAS No: 132911-44-5 Catalog No: AG0011D7 MDL No:
Product Description
Catalog Number:
AG0011D7
Chemical Name:
1H-Pyrrole-2-carboxamide, 4,5-dibromo-N-methyl-
CAS Number:
132911-44-5
Molecular Formula:
C6H6Br2N2O
Molecular Weight:
281.9326
IUPAC Name:
4,5-dibromo-N-methyl-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C6H6Br2N2O/c1-9-6(11)4-2-3(7)5(8)10-4/h2,10H,1H3,(H,9,11)
InChI Key:
AYBCFAOTERWENJ-UHFFFAOYSA-N
SMILES:
CNC(=O)c1[nH]c(c(c1)Br)Br
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.883g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.935g/mol
Monoisotopic Mass:
279.885g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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