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(4-Chloro-pyridin-2-yl)-carbamic acid tert-butyl ester

(4-Chloro-pyridin-2-yl)-carbamic acid tert-butyl ester - CAS 130721-78-7

Name: (4-Chloro-pyridin-2-yl)-carbamic acid tert-butyl ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB007158
Product Name:	(4-Chloro-pyridin-2-yl)-carbamic acid tert-butyl ester
CAS:	130721-78-7
Synonyms:	tert-butyl N-(4-chloropyridin-2-yl)carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(4-chloropyridin-2-yl)carbamate
Description:	(4-Chloro-pyridin-2-yl)-carbamic acid tert-butyl ester (CAS# 130721-78-7) is a useful research chemical.
Molecular Weight:	228.68
Molecular Formula:	C10H13ClN2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1=NC=CC(=C1)Cl
InChI:	InChI=1S/C10H13ClN2O2/c1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8/h4-6H,1-3H3,(H,12,13,14)
InChI Key:	ATOQLEMIFREXLS-UHFFFAOYSA-N
Boiling Point:	274.3 °C at 760 mmHg
Purity:	95 %
Density:	1.245 g/cm³
Appearance:	White to off-white powder
MDL:	MFCD05663519
LogP:	3.15500

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Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.0665554
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.0665554
Rotatable Bond Count:	3
Topological Polar Surface Area:	51.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4