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102342-06-3 | 1H-Imidazole-1-carboxamide, 2,4,5-tribromo-N-methoxy-N-methyl-
CAS No: 102342-06-3 Catalog No: AG00078D MDL No:
Product Description
Catalog Number:
AG00078D
Chemical Name:
1H-Imidazole-1-carboxamide, 2,4,5-tribromo-N-methoxy-N-methyl-
CAS Number:
102342-06-3
Molecular Formula:
C6H6Br3N3O2
Molecular Weight:
391.8427
IUPAC Name:
2,4,5-tribromo-N-methoxy-N-methylimidazole-1-carboxamide
InChI:
InChI=1S/C6H6Br3N3O2/c1-11(14-2)6(13)12-4(8)3(7)10-5(12)9/h1-2H3
InChI Key:
NLHRZBRVFFOPPV-UHFFFAOYSA-N
SMILES:
CON(C(=O)n1c(Br)nc(c1Br)Br)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.799g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.845g/mol
Monoisotopic Mass:
388.801g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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