1-Cbz-3-bromo-4-oxopiperidine - CAS 174184-13-5

Catalog:	BB012990
Product Name:	1-Cbz-3-bromo-4-oxopiperidine
CAS:	174184-13-5
Synonyms:	3-bromo-4-oxo-1-piperidinecarboxylic acid (phenylmethyl) ester; benzyl 3-bromo-4-oxopiperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	benzyl 3-bromo-4-oxopiperidine-1-carboxylate
Description:	1-Cbz-3-bromo-4-oxopiperidine (CAS# 174184-13-5) is a useful research chemical compound.
Molecular Weight:	312.16
Molecular Formula:	C13H14BrNO3
Canonical SMILES:	C1CN(CC(C1=O)Br)C(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C13H14BrNO3/c14-11-8-15(7-6-12(11)16)13(17)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChI Key:	HIJNDCHNTWYMKT-UHFFFAOYSA-N
MDL:	MFCD09953304
LogP:	2.29940

Publication Number	Title	Priority Date
AU-2018240418-A1	Chemical compounds as antibiotics	20170321
CA-3056815-A1	Chemical compounds as antibiotics	20170321
CN-110914238-A	Compounds as antibiotics	20170321
EP-3601224-A1	Chemical compounds as antibiotics	20170321
US-2020155509-A1	Chemical compounds as antibiotics	20170321

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GHS Hazard Statement:	H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	315
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	311.01571
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	311.01571
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2