Basic information
- CAS
101491-56-9- Standard SMILES
O=C(NCCBr)Oc1cccc2ccccc12- InChIKey
XTJDKCYMFPVPPZ-UHFFFAOYSA-N- Molecular formula
- C13H12BrNO2
- Average molar mass
- 294.14 g/mol
- Monoisotopic mass
- 293.00514
Names & identifiers
- Preferred name
- Carbamic acid, 2-bromoethyl-, 1-naphthyl ester
- IUPAC
- naphthalen-1-yl N-(2-bromoethyl)carbamate
Names & synonyms
2-Bromoethylcarbamic acid 1-naphthyl esterCARBAMIC ACID, 2-BROMOETHYL-, 1-NAPHTHYL ESTER2-Bromoethylcarbamic acid, ester with 1-naphthol101491-56-9DTXSID30143954RefChem:332267DTXCID1066445NSC135998NSC-135998naphthalen-1-yl (2-bromoethyl)carbamate
Database identifiers
- CAS
101491-56-9- PubChem CID
- 58424
- DTXSID
DTXSID30143954- Nikkaji
- J67.533D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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