AG00BJCM

21243-12-9 | 8-fluoro-2,3-dihydro-4H-thiochromen-4-one

AG00BJCM

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CAS Number	21243-12-9
Catalog Number	AG00BJCM(AGN-PC-0LWTOB)
Chemical Name	8-fluoro-2,3-dihydro-4H-thiochromen-4-one
IUPAC Name	8-fluoro-2,3-dihydrothiochromen-4-one
InChI	InChI=1S/C9H7FOS/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3H,4-5H2
InChI Key	DLPXAUNBZAYCFB-UHFFFAOYSA-N
MDL Number	MFCD07687997
Molecular Formula	C9H7FOS
Molecular Weight	182.2147
SMILES	O=C1CCSC2=C1C=CC=C2F
Synonyms	8-fluoro-2,3-dihydro-4H-thiochromen-4-one, 21243-12-9, 8-fluorothiochroman-4-one, 8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-one, AC1OFLOF, AC1Q4LI8, SCHEMBL6924, CTK4E6188, DTXSID30427928, DLPXAUNBZAYCFB-UHFFFAOYSA-N, ZINC4218883, AKOS009043521, MCULE-3227430942, NE13692, 8-fluoro-2,3-dihydrothiochromen-4-one, EN300-15307, 4H-1-Benzothiopyran-4-one, 8-fluoro-2,3-dihydro-, 4H-1-Benzothiopyran-4-one,8-fluoro-2,3-dihydro-, Z131021932, ZINC04218883, CID7131540,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.02g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.212g/mol
Monoisotopic Mass	182.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precautionary statements	P261-P305+P351+P338

Certificate of Analysis

Lot Number