AG0039QS

18385-72-3 | 7-Chloro-4-chromanone

AG0039QS

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CAS Number	18385-72-3
Catalog Number	AG0039QS(AGN-PC-001AOZ)
Chemical Name	7-Chloro-4-chromanone
IUPAC Name	7-chloro-2,3-dihydrochromen-4-one
InChI	InChI=1S/C9H7ClO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5H,3-4H2
InChI Key	YBCBUDKINFJWHE-UHFFFAOYSA-N
MDL Number	MFCD24718001
Molecular Formula	C9H7ClO2
Molecular Weight	182.6037
SMILES	ClC1=CC=C2C(CCOC2=C1)=O
Synonyms	7-CHLORO-4-CHROMANONE, 18385-72-3, 7-CHLOROCHROMAN-4-ONE, 7-chloro-3,4-dihydro-2H-1-benzopyran-4-one, 7-chloro-2,3-dihydrochromen-4-one, 4H-1-Benzopyran-4-one, 7-chloro-2,3-dihydro-, 7-chloro-chroman-4-one, PubChem17925, AMOT0680, SCHEMBL4726346, KS-00003KSL, DTXSID10559817, ANW-49524, MFCD09744054, ZINC34288296, AKOS006332052, 7-chloranyl-2,3-dihydrochromen-4-one, ACN-040044, CS-W005351, FS-3037, HC11046, MB07535, RP24369, VZ30906, 7-Chloro-2,3-dihydro-4H-chromen-4-one, AJ-87819, AK-33825, BR-33825, CJ-18279, 7-chloro-2,3-dihydro-1-benzopyran-4-one, AB0023007, TC-138269, 4CH-006957, FT-0649844, ST24029924, W3985, 7-Chloro-2,3-dihydro-4H-1-benzopyran-4-one, S-4524, 4H-1-Benzopyran-4-one,7-chloro-2,3-dihydro-, A812823, I14-7226, J-519205, C9H7ClO2, cc-569, 7-Chloro-2,3-dihydrochromen-4-one, 97% - 1G 1g,

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	0
Topological Polar Surface Area	26.3A^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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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