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95792-74-8 | 1-(1-methyl-4-nitro-1H-imidazol-5-yl)piperazine
CAS No: 95792-74-8 Catalog No: AG019PN6 MDL No:MFCD08444259
Product Description
Catalog Number:
AG019PN6
Chemical Name:
1-(1-methyl-4-nitro-1H-imidazol-5-yl)piperazine
CAS Number:
95792-74-8
Molecular Formula:
C8H13N5O2
Molecular Weight:
211.2211
MDL Number:
MFCD08444259
IUPAC Name:
1-(3-methyl-5-nitroimidazol-4-yl)piperazine
InChI:
InChI=1S/C8H13N5O2/c1-11-6-10-7(13(14)15)8(11)12-4-2-9-3-5-12/h6,9H,2-5H2,1H3
InChI Key:
YAZIOABODNUXKV-UHFFFAOYSA-N
SMILES:
Cn1cnc(c1N1CCNCC1)[N+](=O)[O-]
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.107g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.225g/mol
Monoisotopic Mass:
211.107g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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