CAS
90348-29-1 Purity
96%
90348-29-1 Purity
96%
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1H-Benzimidazole,2,6-dimethyl-7-nitro-
CAS
90349-14-7
Catalog Number
ACM90349147
Category
Other Products
Molecular Weight
191.19
Molecular Formula
C9H9 N3 O2
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Specification
Synonyms
2,5-DIMETHYL-4-NITROBENZIMIDAZOLE;1H-Benzimidazole,2,5-dimethyl-4-nitro-(9CI)
IUPAC Name
2,5-dimethyl-4-nitro-1H-benzimidazole
Canonical SMILES
CC1=C(C2=C(C=C1)NC(=N2)C)[N+](=O)[O-]
InChI Key
ZDKNXWAFKNYXFI-UHFFFAOYSA-N
Boiling Point
439.4ºC at 760mmHg
Flash Point
219.6ºC
Density
1.37g/cm³
Exact Mass
191.06900
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 1H-Benzimidazole,2,6-dimethyl-7-nitro?
The molecular formula is C9H9N3O2.
What is the molecular weight of 1H-Benzimidazole,2,6-dimethyl-7-nitro?
The molecular weight is 191.19 g/mol.
What is the IUPAC name of 1H-Benzimidazole,2,6-dimethyl-7-nitro?
The IUPAC name is 2,5-dimethyl-4-nitro-1H-benzimidazole.
What is the InChIKey of 1H-Benzimidazole,2,6-dimethyl-7-nitro?
The InChIKey is ZDKNXWAFKNYXFI-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 1H-Benzimidazole,2,6-dimethyl-7-nitro have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 1H-Benzimidazole,2,6-dimethyl-7-nitro?
The topological polar surface area is 74.5 Ų.
Is 1H-Benzimidazole,2,6-dimethyl-7-nitro considered a canonical compound?
Yes, the compound is canonicalized.
How many rotatable bond counts does 1H-Benzimidazole,2,6-dimethyl-7-nitro have?
It has zero rotatable bond counts.
What is the formal charge of 1H-Benzimidazole,2,6-dimethyl-7-nitro?
The formal charge is 0.
How many heavy atoms does 1H-Benzimidazole,2,6-dimethyl-7-nitro contain?
It contains 14 heavy atoms.
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