Carbamic acid, (3-(bromomethyl)-2-pyridinyl)-, 1,1-dimethylethyl ester

HCID 11623381

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Basic information

CAS: 877593-12-9
Standard SMILES: CC(C)(C)OC(=O)Nc1ncccc1CBr
InChIKey: KLKNEQNNPVEMQQ-UHFFFAOYSA-N
Molecular formula: C11H15BrN2O2
Average molar mass: 287.15 g/mol
Monoisotopic mass: 286.03169

Names & identifiers

Preferred name: Carbamic acid, (3-(bromomethyl)-2-pyridinyl)-, 1,1-dimethylethyl ester
IUPAC: tert-butyl N-[3-(bromomethyl)-2-pyridinyl]carbamate

Names & synonyms

877593-12-9Carbamic acid, [3-(bromomethyl)-2-pyridinyl]-, 1,1-dimethylethyl esterCarbamic acid, (3-(bromomethyl)-2-pyridinyl)-, 1,1-dimethylethyl esterRefChem:332001Tert-butyl N-[3-(bromomethyl)pyridin-2-yl]carbamatetert-butyl (3-(bromomethyl)pyridin-2-yl)carbamatetert-Butyl [3-(bromomethyl)pyridin-2-yl]carbamate3-(Bromomethyl)-N-Boc-pyridin-2-amineDTXSID201154997MFCD16036627SY471501EN300-97818

Database identifiers

CAS: 877593-12-9
PubChem CID: 11623381
DTXSID: DTXSID201154997
Nikkaji: J2.281.247E

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 51.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 241

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