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91918-24-0 | 1H-Imidazole, 1-methyl-2,4-bis(1-methylethyl)-5-nitro-
CAS No: 91918-24-0 Catalog No: AG0067UU MDL No:
Product Description
Catalog Number:
AG0067UU
Chemical Name:
1H-Imidazole, 1-methyl-2,4-bis(1-methylethyl)-5-nitro-
CAS Number:
91918-24-0
Molecular Formula:
C10H17N3O2
Molecular Weight:
211.2609
IUPAC Name:
1-methyl-5-nitro-2,4-di(propan-2-yl)imidazole
InChI:
InChI=1S/C10H17N3O2/c1-6(2)8-10(13(14)15)12(5)9(11-8)7(3)4/h6-7H,1-5H3
InChI Key:
OMGGXSSBPXWNTJ-UHFFFAOYSA-N
SMILES:
CC(c1nc(c(n1C)[N+](=O)[O-])C(C)C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.132g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.265g/mol
Monoisotopic Mass:
211.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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