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Home > Nitro Compounds > 13138-77-7
13138-77-7 | 1-methyl-4-nitro-1H-pyrrole-2-carboxamide
CAS No: 13138-77-7 Catalog No: AG019K8R MDL No:MFCD08691159
Product Description
Catalog Number:
AG019K8R
Chemical Name:
1-methyl-4-nitro-1H-pyrrole-2-carboxamide
CAS Number:
13138-77-7
Molecular Formula:
C6H7N3O3
Molecular Weight:
169.1381
MDL Number:
MFCD08691159
IUPAC Name:
1-methyl-4-nitropyrrole-2-carboxamide
InChI:
InChI=1S/C6H7N3O3/c1-8-3-4(9(11)12)2-5(8)6(7)10/h2-3H,1H3,(H2,7,10)
InChI Key:
FMCZMALQWCUZCZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(c(c1)C(=O)N)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.14g/mol
Monoisotopic Mass:
169.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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