AG01BVQS

1092350-77-0 | 7-bromo-8-fluoro-3,4-dihydro-2H-1-benzopyran-4-one

AG01BVQS

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CAS Number	1092350-77-0
Catalog Number	AG01BVQS(AGN-PC-0WOLFQ)
Chemical Name	7-bromo-8-fluoro-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC Name	7-bromo-8-fluoro-2,3-dihydrochromen-4-one
InChI	InChI=1S/C9H6BrFO2/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11/h1-2H,3-4H2
InChI Key	KPAFVSLIXPVEOJ-UHFFFAOYSA-N
MDL Number	MFCD11518510
Molecular Formula	C9H6BrFO2
Molecular Weight	245.0451
SMILES	O=C1CCOC2=C1C=CC(Br)=C2F
Synonyms	7-bromo-8-fluorochroman-4-one, 1092350-77-0, MFCD11518510, ACN-053667, 7-bromo-8-fluoro-3,4-dihydro-2H-1-benzopyran-4-one,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.954g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	245.047g/mol
Monoisotopic Mass	243.954g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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