AG00967Q

1092350-27-0 | 6-Chloro-8-fluorochroman-4-one

AG00967Q

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CAS Number	1092350-27-0
Catalog Number	AG00967Q(AGN-PC-0WAM9X)
Chemical Name	6-Chloro-8-fluorochroman-4-one
IUPAC Name	6-chloro-8-fluoro-2,3-dihydrochromen-4-one
InChI	InChI=1S/C9H6ClFO2/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5/h3-4H,1-2H2
InChI Key	WKZNUTWJAOYUBQ-UHFFFAOYSA-N
MDL Number	MFCD11518488
Molecular Formula	C9H6ClFO2
Molecular Weight	200.5941
SMILES	O=C1CCOC2=C1C=C(Cl)C=C2F
Synonyms	6-Chloro-8-fluorochroman-4-one, 1092350-27-0, AK172724, SCHEMBL14053377, MFCD11518488, ZINC75882195, AKOS023111277, DS-8145, FCH1404257, BBV-40280364, AX8297023,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.004g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.593g/mol
Monoisotopic Mass	200.004g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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