BR 384
Basic information
- CAS
123567-34-0- Standard SMILES
CN(CC#CCOC(=O)Nc1cccc(Cl)c1)CCBr- InChIKey
SWJSAKZDVODBPF-UHFFFAOYSA-N- Molecular formula
- C14H16BrClN2O2
- Average molar mass
- 359.64 g/mol
- Monoisotopic mass
- 358.00837
Overview
RN, RR & structure given in first source
Names & identifiers
- Preferred name
- BR 384
- IUPAC
- 4-[2-bromoethyl(methyl)amino]but-2-ynyl N-(3-chlorophenyl)carbamate
- English name
- BR 384
- Molecular formula
- C14H16BrClN2O2
- Molecular weight
- 359.64604
Names & synonyms
123567-34-0BR-384BR 384RefChem:1211934-((2-Bromoethyl)methylamino)-2-butynyl N-(3-chlorophenyl)carbamate4-[2-bromoethyl(methyl)amino]but-2-ynyl N-(3-chlorophenyl)carbamateCHEMBL95934SCHEMBL30478429DTXSID309245434-((2-Bromoethyl)methylamino)-2-butynyl (3-chlorophenyl)carbamate4-[(2-Bromoethyl)(methyl)amino]but-2-yn-1-yl hydrogen (3-chlorophenyl)carbonimidateCarbamic acid, (3-chlorophenyl)-, 4-((2-bromoethyl)methylamino)-2-butynyl ester
Database identifiers
- CAS
123567-34-0- PubChem CID
- 129999
- DTXSID
DTXSID30924543- ChEMBL
CHEMBL95934- Nikkaji
- J271.844H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
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Related reactions
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Compound notes
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