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129661-55-8 | Benzenamine, N-[(1-methyl-5-nitro-1H-imidazol-2-yl)methylene]-
CAS No: 129661-55-8 Catalog No: AG000ZA2 MDL No:
Product Description
Catalog Number:
AG000ZA2
Chemical Name:
Benzenamine, N-[(1-methyl-5-nitro-1H-imidazol-2-yl)methylene]-
CAS Number:
129661-55-8
Molecular Formula:
C11H10N4O2
Molecular Weight:
230.2227
IUPAC Name:
1-(1-methyl-5-nitroimidazol-2-yl)-N-phenylmethanimine
InChI:
InChI=1S/C11H10N4O2/c1-14-10(13-8-11(14)15(16)17)7-12-9-5-3-2-4-6-9/h2-8H,1H3
InChI Key:
RQBDVCWIRHAMMD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(n1C)C=Nc1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.227g/mol
Monoisotopic Mass:
230.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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