AG00DCQN

50690-11-4 | 2-Chloro-1-(2,5-dimethyl-phenyl)-ethanone

AG00DCQN

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CAS Number	50690-11-4
Catalog Number	AG00DCQN(AGN-PC-0KFCXM)
Chemical Name	2-Chloro-1-(2,5-dimethyl-phenyl)-ethanone
IUPAC Name	2-chloro-1-(2,5-dimethylphenyl)ethanone
InChI	InChI=1S/C10H11ClO/c1-7-3-4-8(2)9(5-7)10(12)6-11/h3-5H,6H2,1-2H3
InChI Key	JVDITFWYVNXMQP-UHFFFAOYSA-N
MDL Number	MFCD03980981
Molecular Formula	C10H11ClO
Molecular Weight	182.6467
SMILES	C1(=CC(C)=CC=C1C)C(CCl)=O
Synonyms	50690-11-4, 2-chloro-1-(2,5-dimethylphenyl)ethanone, 2-Chloro-1-(2,5-dimethyl-phenyl)-ethanone, Ethanone,2-chloro-1-(2,5-dimethylphenyl)-, AC1M5ZQG, AC1Q2JGG, 2-(Chloroacetyl)-p-xylene, Ethanone, 2-chloro-1-(2,5-dimethylphenyl)- (9CI), SCHEMBL3686610, CTK4J3007, DTXSID10368264, JVDITFWYVNXMQP-UHFFFAOYSA-N, ZINC3246445, BBL035848, MFCD03980981, SBB040700, STL282501, AKOS000200474, MCULE-4053378700, AJ-44800, FT-0748760, 1-(2,5-dimethylphenyl)-2-chloroethan-1-one, 2-chloro-1-(2,5-dimethylphenyl)ethan-1-one, AZ0001-0455, EN300-05057, Y-1034, 2-Chloro-1-(2,5-dimethylphenyl)ethanone, AldrichCPR, Ethanone,2-chloro-1- -, ZINC03246445, CID2363693,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.05g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.647g/mol
Monoisotopic Mass	182.05g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number