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Home > Nitro Compounds > 100446-35-3
100446-35-3 | 1H-Pyrrole, 1-methyl-2-[(1E)-2-nitroethenyl]-
CAS No: 100446-35-3 Catalog No: AG000207 MDL No:
Product Description
Catalog Number:
AG000207
Chemical Name:
1H-Pyrrole, 1-methyl-2-[(1E)-2-nitroethenyl]-
CAS Number:
100446-35-3
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
IUPAC Name:
1-methyl-2-(2-nitroethenyl)pyrrole
InChI:
InChI=1S/C7H8N2O2/c1-8-5-2-3-7(8)4-6-9(10)11/h2-6H,1H3
InChI Key:
NHVYARKRYOUKFA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)/C=C/c1cccn1C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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