tert-butyl N-(1-bromo-5-methyl-2-oxohexan-3-yl)carbamate

HCID 315906

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Basic information

CAS: 83269-98-1
Standard SMILES: CC(C)CC(NC(=O)OC(C)(C)C)C(=O)CBr
InChIKey: SUVXZTLARLVLOJ-UHFFFAOYSA-N
Molecular formula: C12H22BrNO3
Average molar mass: 308.21 g/mol
Monoisotopic mass: 307.07830566

Names & identifiers

Preferred name: tert-butyl N-(1-bromo-5-methyl-2-oxohexan-3-yl)carbamate
IUPAC: tert-butyl N-(1-bromo-5-methyl-2-oxohexan-3-yl)carbamate

Names & synonyms

NSC24267783269-98-1SCHEMBL1041132DTXSID20311387NSC-242677tert-Butyl (1-bromo-5-methyl-2-oxohexan-3-yl)carbamate

Database identifiers

CAS: 83269-98-1
PubChem CID: 315906
DTXSID: DTXSID20311387

Properties

Computed structural propertiesFilling in

XLogP: 3.2
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 17
Formal charge: 0
Complexity: 271

Related reactions

1 records

New reaction record

HRID 1571763 reaction equation

HRID 1571763As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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