AG00C9LH

3839-48-3 | 2-CHLORO-2,4,6-CYCLOHEPTATRIEN-1-ONE

AG00C9LH

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CAS Number	3839-48-3
Catalog Number	AG00C9LH(AGN-PC-0JKETT)
Chemical Name	2-CHLORO-2,4,6-CYCLOHEPTATRIEN-1-ONE
IUPAC Name	2-chlorocyclohepta-2,4,6-trien-1-one
InChI	InChI=1S/C7H5ClO/c8-6-4-2-1-3-5-7(6)9/h1-5H
InChI Key	MTHNMAUDCHXFMM-UHFFFAOYSA-N
MDL Number	MFCD00182497
Molecular Formula	C7H5ClO
Molecular Weight	140.5670
NSC Number	328816
SMILES	O=C1C(Cl)=CC=CC=C1
Synonyms	2-Chlorotropone, 3839-48-3, 2-CHLORO-2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-Chlorocycloheptatrienone, 2-Chlorocyclohepta-2,4,6-trienone, NSC 328816, 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-CHLORO-, BRN 0471390, 2-chlorocyclohepta-2,4,6-trien-1-one, NSC328816, AC1L2ENK, ACMC-1CQ9N, WLN: L7VJ BG, 4-07-00-00502 (Beilstein Handbook Reference), SCHEMBL7982821, CTK4H9886, DTXSID90191734, MTHNMAUDCHXFMM-UHFFFAOYSA-N, ZINC390989, KS-00000Y4J, MFCD00182497, AKOS027379796, NSC-328816, 2,6-Cycloheptatrien-1-one, 2-chloro-, 2,4,6-Cycloheptatrien-1-one,2-chloro-, LS-56165, TC-170798, 2-Chloro-2,4,6-cycloheptatrien-1-one, >=98.0% (GC), C7-H5-Cl-O, CID19691, C2674,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.003g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	140.566g/mol
Monoisotopic Mass	140.003g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H314-H317-H334
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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