AG00ELJF

628732-10-5 | 6-CHLORO-7-METHYL-1-INDANONE

AG00ELJF

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CAS Number	628732-10-5
Catalog Number	AG00ELJF(AGN-PC-03IOKH)
Chemical Name	6-CHLORO-7-METHYL-1-INDANONE
IUPAC Name	6-chloro-7-methyl-2,3-dihydroinden-1-one
InChI	InChI=1S/C10H9ClO/c1-6-8(11)4-2-7-3-5-9(12)10(6)7/h2,4H,3,5H2,1H3
InChI Key	YZVNTBGRVBMHBL-UHFFFAOYSA-N
MDL Number	MFCD18208190
Molecular Formula	C10H9ClO
Molecular Weight	180.6309
SMILES	O=C1CCC2=C1C(C)=C(Cl)C=C2
Synonyms	6-Chloro-7-methyl-2,3-dihydro-1H-inden-1-one, 628732-10-5, 6-chloro-7-methyl-1-indanone, AK148604, 6-Chloro-7-methyl-2,3-dihydroinden-1-one, 1H-Inden-1-one, 6-chloro-2,3-dihydro-7-methyl-, SCHEMBL1340232, YZVNTBGRVBMHBL-UHFFFAOYSA-N, MFCD18208190, ZINC98178572, AKOS022188456, DS-9082, FCH1176852, AJ-139678, AX8285915, CS-0035762,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.034g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.631g/mol
Monoisotopic Mass	180.034g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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