AG01EBOT

849751-48-0 | tert-Butyl (2-chloropyrimidin-4-yl)carbamate

AG01EBOT

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CAS Number	849751-48-0
Catalog Number	AG01EBOT(AGN-PC-09S05C)
Chemical Name	tert-Butyl (2-chloropyrimidin-4-yl)carbamate
IUPAC Name	tert-butyl N-(2-chloropyrimidin-4-yl)carbamate
InChI	InChI=1S/C9H12ClN3O2/c1-9(2,3)15-8(14)13-6-4-5-11-7(10)12-6/h4-5H,1-3H3,(H,11,12,13,14)
InChI Key	KZWYURZXVHDRKB-UHFFFAOYSA-N
MDL Number	MFCD16036511
Molecular Formula	C9H12ClN3O2
Molecular Weight	229.6635
SMILES	O=C(OC(C)(C)C)NC1=NC(Cl)=NC=C1
Synonyms	tert-Butyl (2-chloropyrimidin-4-yl)carbamate, 849751-48-0, SCHEMBL4648083, MFCD16036511, ZINC126448252, AK376186, SC-34812, TERT-BUTYL 2-CHLOROPYRIMIDIN-4-YLCARBAMATE,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.062g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.664g/mol
Monoisotopic Mass	229.062g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	64.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code	\N

Certificate of Analysis

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