AG00D8VO

55579-68-5 | 5-(2-CHLOROPHENYL)CYCLOHEXANE-1,3-DIONE

AG00D8VO

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CAS Number	55579-68-5
Catalog Number	AG00D8VO(AGN-PC-0JXEQ8)
Chemical Name	5-(2-CHLOROPHENYL)CYCLOHEXANE-1,3-DIONE
IUPAC Name	5-(2-chlorophenyl)cyclohexane-1,3-dione
InChI	InChI=1S/C12H11ClO2/c13-12-4-2-1-3-11(12)8-5-9(14)7-10(15)6-8/h1-4,8H,5-7H2
InChI Key	BPFBAVBCEHCMFU-UHFFFAOYSA-N
MDL Number	MFCD02067868
Molecular Formula	C12H11ClO2
Molecular Weight	222.6675
SMILES	O=C1CC(CC(C2=CC=CC=C2Cl)C1)=O
Synonyms	5-(2-chlorophenyl)cyclohexane-1,3-dione, 55579-68-5, 1,3-cyclohexanedione, 5-(2-chlorophenyl)-, MLS000110856, AC1LGQUL, AC1Q3PCY, SCHEMBL6797464, CHEMBL1581755, CTK5A3821, DTXSID50358048, BPFBAVBCEHCMFU-UHFFFAOYSA-N, HMS2375M18, ALBB-006852, ZINC4112869, 5570AE, BBL019066, MFCD02067868, SBB048412, STK392614, AKOS000265407, MCULE-8322671446, 5-(2-chlorophenyl)-1,3-cyclohexanedione, AJ-48111, AS-42073, SMR000106785, 1,3-dioxo-5-(o-chlorophenyl)-cyclohexane, 2-(3,5-Dioxocyclohex-1-yl)chlorobenzene, 5-(2-chlorophenyl)-cyclohexane-1,3-dione, AB0081688, DB-072013, TR-019589, BB 0256717, FT-0679268, R5435, ST45170086, SR-01000229849, SR-01000229849-1, I14-28332, C12H11ClO2, KST-1B5605, AR-1B6746, CID875360, 3-amino-3-(3-hydroxyphenyl)propanoic acid, 559-99-9,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.045g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.668g/mol
Monoisotopic Mass	222.045g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

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