AG00EFPO

56464-74-5 | 1-(2-Chlorophenyl)butane-1,3-dione

AG00EFPO

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CAS Number	56464-74-5
Catalog Number	AG00EFPO(AGN-PC-00385A)
Chemical Name	1-(2-Chlorophenyl)butane-1,3-dione
IUPAC Name	1-(2-chlorophenyl)butane-1,3-dione
InChI	InChI=1S/C10H9ClO2/c1-7(12)6-10(13)8-4-2-3-5-9(8)11/h2-5H,6H2,1H3
InChI Key	CYPYOGOPKDBEFY-UHFFFAOYSA-N
MDL Number	MFCD07772928
Molecular Formula	C10H9ClO2
Molecular Weight	196.6303
SMILES	CC(CC(C1=CC=CC=C1Cl)=O)=O
Synonyms	1-(2-chlorophenyl)butane-1,3-dione, 56464-74-5, 1-(2-chlorophenyl)-1,3-butanedione, 1-(2-CHLORO-PHENYL)-BUTANE-1,3-DIONE, 1,3-Butanedione, 1-(2-chlorophenyl)-, (2-chlorobenzoyl)acetone, AC1Q1K1M, SCHEMBL2519308, CTK5A5163, DTXSID10566602, CYPYOGOPKDBEFY-UHFFFAOYSA-N, AKOS008090154, ZINC100596167, MCULE-2583207227, NE43092, SC-49256, EN300-55006,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.029g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	196.63g/mol
Monoisotopic Mass	196.029g/mol
Rotatable Bond Count	3
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 Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

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