Basic information
- CAS
22527-72-6- Standard SMILES
CCC(Br)(COC(=O)Nc1ccccc1)[N+](=O)[O-]- InChIKey
FOFZHBKHCDFOPR-UHFFFAOYSA-N- Molecular formula
- C11H13BrN2O4
- Average molar mass
- 317.14 g/mol
- Monoisotopic mass
- 316.00587
Names & identifiers
- Preferred name
- 2-Bromo-2-nitrobutyl phenylcarbamate
- IUPAC
- (2-bromo-2-nitrobutyl) N-phenylcarbamate
- English name
- 2-bromo-2-nitrobutyl phenylcarbamate
- Molecular formula
- C11H13BrN2O4
- Molecular weight
- 317.13592
Names & synonyms
2-Bromo-2-nitrobutyl phenylcarbamate22527-72-6EINECS 245-055-3DTXSID20945181FOFZHBKHCDFOPR-UHFFFAOYSA-NNS000501962-Bromo-2-nitrobutyl hydrogen phenylcarbonimidate
Database identifiers
- CAS
22527-72-6- PubChem CID
- 90799
- DTXSID
DTXSID20945181- EC Number
- 245-055-3
- Nikkaji
- J286.234D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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