Basic information
- Standard SMILES
Cc1cccc(C(N)=O)c1[N+](=O)[O-]- InChIKey
HTVJDAQMMNMEBZ-UHFFFAOYSA-N- Molecular formula
- C8H8N2O3
- Average molar mass
- 180.16 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-2-nitrobenzamide
- IUPAC
- 3-methyl-2-nitrobenzamide
Names & synonyms
3-methyl-2-nitrobenzamide60310-07-8Benzamide, 3-methyl-2-nitro-3-methyl-2-nitro-benzamideMFCD00631168SCHEMBL2636763SCHEMBL30986109HTVJDAQMMNMEBZ-UHFFFAOYSA-NAKOS008977453MB01360AS-59588SY335482
Show more names
DB-194147CS-0060014W18210F609750
Database identifiers
- PubChem CID
- 3271371
- Nikkaji
- J2.868.958F
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Related reactions
7 records
Compound notes
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