AG002JZL

20895-90-3 | 1-(2-Chloro-6-nitrophenyl)ethanone

AG002JZL

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CAS Number	20895-90-3
Catalog Number	AG002JZL(AGN-PC-0WD3VB)
Chemical Name	1-(2-Chloro-6-nitrophenyl)ethanone
IUPAC Name	1-(2-chloro-6-nitrophenyl)ethanone
InChI	InChI=1S/C8H6ClNO3/c1-5(11)8-6(9)3-2-4-7(8)10(12)13/h2-4H,1H3
InChI Key	DMKAVNKNXDGXHS-UHFFFAOYSA-N
MDL Number	MFCD22124953
Molecular Formula	C8H6ClNO3
Molecular Weight	199.5911
SMILES	CC(C1=C([N+]([O-])=O)C=CC=C1Cl)=O
Synonyms	20895-90-3, 1-(2-Chloro-6-nitrophenyl)ethanone, 1-(2-chloro-6-nitrophenyl)ethan-1-one, 1-(2-chloro-6-nitro-phenyl)-ethanone, SCHEMBL3503761, DTXSID70607409, DMKAVNKNXDGXHS-UHFFFAOYSA-N, ZINC87224147, AKOS018707347, NE30646, Ethanone, 1-(2-chloro-6-nitrophenyl)-, AM807391, AJ-127938,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.004g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.59g/mol
Monoisotopic Mass	199.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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