AG008UD1

110100-00-0 | Ethanone, 1-(2-chloro-5-pyrimidinyl)- (9CI)

AG008UD1

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CAS Number	110100-00-0
Catalog Number	AG008UD1(AGN-PC-00NOTJ)
Chemical Name	Ethanone, 1-(2-chloro-5-pyrimidinyl)- (9CI)
IUPAC Name	1-(2-chloropyrimidin-5-yl)ethanone
InChI	InChI=1S/C6H5ClN2O/c1-4(10)5-2-8-6(7)9-3-5/h2-3H,1H3
InChI Key	LISVHIVILJZRDH-UHFFFAOYSA-N
MDL Number	MFCD10697144
Molecular Formula	C6H5ClN2O
Molecular Weight	156.5697
SMILES	CC(C1=CN=C(Cl)N=C1)=O
Synonyms	1-(2-CHLOROPYRIMIDIN-5-YL)ETHANONE, 110100-00-0, ETHANONE, 1-(2-CHLORO-5-PYRIMIDINYL)-, 1-(2-CHLOROPYRIMIDIN-5-YL)ETHAN-1-ONE, 1-(2-chloro-5-pyrimidinyl)ethanone, AK135579, Ethanone, 1-(2-chloro-5-pyrimidinyl)- (9CI), SCHEMBL600134, CTK8E2989, DTXSID30547453, LISVHIVILJZRDH-UHFFFAOYSA-N, 5-ACETYL-2-CHLOROPYRIMIDINE, FCH881792, MFCD10697144, ZINC34132842, AKOS006305558, AB59098, CS-W021203, DS-5100, WT82451, AJ-87105, SC-33259, AX8227082, DB-013703, TX-015753, FT-0769126, Ethanone,1-(2-chloro-5-pyrimidinyl)-(9CI), I03-0667,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.009g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	156.569g/mol
Monoisotopic Mass	156.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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