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49791-86-8 | 1H-Imidazole,1-methyl-2-(1-methylethyl)-5-nitro-, hydrochloride (1:1)
CAS No: 49791-86-8 Catalog No: AG006Y1H MDL No:
Product Description
Catalog Number:
AG006Y1H
Chemical Name:
1H-Imidazole,1-methyl-2-(1-methylethyl)-5-nitro-, hydrochloride (1:1)
CAS Number:
49791-86-8
Molecular Formula:
C7H12ClN3O2
Molecular Weight:
205.6421
IUPAC Name:
1-methyl-5-nitro-2-propan-2-ylimidazole;hydrochloride
InChI:
InChI=1S/C7H11N3O2.ClH/c1-5(2)7-8-4-6(9(7)3)10(11)12;/h4-5H,1-3H3;1H
InChI Key:
HOMIFIGVCCVRIG-UHFFFAOYSA-N
SMILES:
CC(C1=NC=C([NH+]1C)[N+](=O)[O-])C.[Cl-]
EC Number:
256-491-9
UNII:
87813M60WF
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.062g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.642g/mol
Monoisotopic Mass:
205.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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