AG00332G

66522-06-3 | 2-Chloro-4-(1,1-dimethylethyl)pyrimidine

AG00332G

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CAS Number	66522-06-3
Catalog Number	AG00332G(AGN-PC-0NJ0ET)
Chemical Name	2-Chloro-4-(1,1-dimethylethyl)pyrimidine
IUPAC Name	4-tert-butyl-2-chloropyrimidine
InChI	InChI=1S/C8H11ClN2/c1-8(2,3)6-4-5-10-7(9)11-6/h4-5H,1-3H3
InChI Key	LBSVYOFARGFLFV-UHFFFAOYSA-N
MDL Number	MFCD12402334
Molecular Formula	C8H11ClN2
Molecular Weight	170.6393
SMILES	Clc1nccc(n1)C(C)(C)C
Synonyms	66522-06-3, 4-tert-butyl-2-chloropyrimidine, 4-(tert-Butyl)-2-chloropyrimidine, Pyrimidine, 2-chloro-4-(1,1-dimethylethyl)-, SCHEMBL2018538, CHEMBL3251584, LBSVYOFARGFLFV-UHFFFAOYSA-N, MFCD12402334, ZINC40538001, AKOS023555121, DS-9932, AK198818, DA-04489, 2-Chloro-4-(1,1-dimethylethyl)pyrimidine, 2_Chloro_4_(1,1_dimethylethyl)pyrimidine, FT-0758769, Pyrimidine,2-chloro-4-(1,1-dimethylethyl)-,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.061g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	170.64g/mol
Monoisotopic Mass	170.061g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	25.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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