AG008R7H

10557-21-8 | 1-(4-Chlorophenyl)-1,2-propandione

AG008R7H

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CAS Number	10557-21-8
Catalog Number	AG008R7H(AGN-PC-0KK7CV)
Chemical Name	1-(4-Chlorophenyl)-1,2-propandione
IUPAC Name	1-(4-chlorophenyl)propane-1,2-dione
InChI	InChI=1S/C9H7ClO2/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-5H,1H3
InChI Key	HOZREFFNUJAHQP-UHFFFAOYSA-N
MDL Number	MFCD01941300
Molecular Formula	C9H7ClO2
Molecular Weight	182.6037
SMILES	CC(=O)C(=O)C1=CC=C(Cl)C=C1
Synonyms	1-(4-Chlorophenyl)propane-1,2-dione, 10557-21-8, 1-(4-chlorophenyl)-1,2-propandione, 1-(4-chlorophenyl)-1,2-propanedione, 4'-Chloro-2-oxopropiophenone, 1-(4-Chlorophenyl)-1,2-dioxopropane, PubChem16056, AC1MC44Y, SCHEMBL767177, CTK4A3944, KS-00002AJZ, DTXSID60370953, HOZREFFNUJAHQP-UHFFFAOYSA-N, ZINC1529044, 1258AA, ANW-55036, MFCD01941300, SBB089962, AKOS006227570, PS-5963, 1,2-Propanedione,1-(4-chlorophenyl)-, 1-(4-chloro-phenyl)-propane-1,2-dione, AJ-26548, CJ-23826, TR-001159, FT-0676461, C-6330, 557C218, A801271, I14-28465, C9H7ClO2, ZINC01529044, CID2735798,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.013g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.603g/mol
Monoisotopic Mass	182.013g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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