3-Nitrobutan-2-yl hydrogen phenylcarbonimidate
Basic information
- CAS
6526-61-0- Standard SMILES
CC(OC(=O)Nc1ccccc1)C(C)[N+](=O)[O-]- InChIKey
UYTRXLZRHNDHHY-UHFFFAOYSA-N- Molecular formula
- C11H14N2O4
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.09535693
Names & identifiers
- Preferred name
- 3-Nitrobutan-2-yl hydrogen phenylcarbonimidate
- IUPAC
- 3-nitrobutan-2-yl N-phenylcarbamate
- English name
- N-Phenylcarbamic acid 1-methyl-2-nitropropyl ester
- Molecular weight
- 0
Names & synonyms
6526-61-0DTXSID409838633-Nitrobutan-2-yl hydrogen phenylcarbonimidateRefChem:1068350DTXCID701411091BRN 27359162-Nitroisobutyl-N-phenylcarbamateCARBAMIC ACID, PHENYL-, (1-METHYL-2-NITROPROPYL) ESTERN-Phenylcarbamic acid 1-methyl-2-nitropropyl ester
Database identifiers
- CAS
6526-61-0- PubChem CID
- 23028
- DTXSID
DTXSID40983863- Nikkaji
- J42.813B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…