2-methyl-5-(4-nitrophenyl)-2H-tetrazole
Basic information
- CAS
43131-48-2- Standard SMILES
Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1- InChIKey
CEUXZGRTNLGQQW-UHFFFAOYSA-N- Molecular formula
- C8H7N5O2
- Average molar mass
- 205.17 g/mol
- Monoisotopic mass
- 205.05997446
Names & identifiers
- Preferred name
- 2-methyl-5-(4-nitrophenyl)-2H-tetrazole
- IUPAC
- 2-methyl-5-(4-nitrophenyl)tetrazole
Names & synonyms
43131-48-22-methyl-5-(4-nitrophenyl)-2H-tetrazoleNSC282053Oprea1_400960SCHEMBL1674287DTXSID40314335CEUXZGRTNLGQQW-UHFFFAOYSA-NNSC-282053DS-0041642-Methyl-5-(4-nitro-phenyl)-2H-tetrazole2H-TETRAZOLE,2-METHYL-5-(4-NITROPHENYL)-InChI=1/C8H7N5O2/c1-12-10-8(9-11-12)6-2-4-7(5-3-6)13(14)15/h2-5H,1H
Database identifiers
- CAS
43131-48-2- PubChem CID
- 323192
- DTXSID
DTXSID40314335
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 236
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
6 records
Compound notes
Loading…