2,2-Dimethyl-6-nitro-1,3-benzodioxol-5-amine
Basic information
- CAS
81864-31-5- Standard SMILES
CC1(C)Oc2cc(N)c([N+](=O)[O-])cc2O1- InChIKey
IANVKUIMAHXNOX-UHFFFAOYSA-N- Molecular formula
- C9H10N2O4
- Average molar mass
- 210.19 g/mol
Names & identifiers
- Preferred name
- 2,2-Dimethyl-6-nitro-1,3-benzodioxol-5-amine
- IUPAC
- 2,2-dimethyl-6-nitro-1,3-benzodioxol-5-amine
- English name
- 2,2-dimethyl-6-nitro-1,3-benzodioxol-5-amine
- Molecular formula
- C9H10N2O4
- Molecular weight
- 210.1867
Names & synonyms
2,2-dimethyl-6-nitro-1,3-benzodioxol-5-amine81864-31-52,2-Dimethyl-6-nitrobenzo[d][1,3]dioxol-5-amineMLS000543442Oprea1_705738CHEMBL1556569SCHEMBL10845271IANVKUIMAHXNOX-UHFFFAOYSA-NHMS2276A10SMR000162749DB-2394302,2-dimethyl-5-amino-6-nitro-1,3-benzodioxole
Show more names
AE-562/12222259
Database identifiers
- CAS
81864-31-5- ChEMBL
CHEMBL1556569
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
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Compound notes
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