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116204-47-8 | 1H-Benzimidazole, 2-(1-methylethyl)-5,6-dinitro-
CAS No: 116204-47-8 Catalog No: AG000BWE MDL No:
Product Description
Catalog Number:
AG000BWE
Chemical Name:
1H-Benzimidazole, 2-(1-methylethyl)-5,6-dinitro-
CAS Number:
116204-47-8
Molecular Formula:
C10H10N4O4
Molecular Weight:
250.2108
IUPAC Name:
5,6-dinitro-2-propan-2-yl-1H-benzimidazole
InChI:
InChI=1S/C10H10N4O4/c1-5(2)10-11-6-3-8(13(15)16)9(14(17)18)4-7(6)12-10/h3-5H,1-2H3,(H,11,12)
InChI Key:
GWHPSWPVGCOKGH-UHFFFAOYSA-N
SMILES:
CC(c1nc2c([nH]1)cc(c(c2)[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.214g/mol
Monoisotopic Mass:
250.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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