AG00HBCB

1092350-58-7 | 7-Bromo-5-fluorochroman-4-one

AG00HBCB

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CAS Number	1092350-58-7
Catalog Number	AG00HBCB(AGN-PC-0WR46J)
Chemical Name	7-Bromo-5-fluorochroman-4-one
IUPAC Name	7-bromo-5-fluoro-2,3-dihydrochromen-4-one
InChI	InChI=1S/C9H6BrFO2/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4H,1-2H2
InChI Key	UQVBCMAIWONHLQ-UHFFFAOYSA-N
MDL Number	MFCD11518503
Molecular Formula	C9H6BrFO2
Molecular Weight	245.0451
SMILES	O=C1CCOC2=C1C(F)=CC(Br)=C2
Synonyms	7-Bromo-5-fluorochroman-4-one, 1092350-58-7, KS-00000TQ3, ZINC238570814, AK544262, DS-19312, CS-0101636,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.95352g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	245.04g/mol
Monoisotopic Mass	243.95352g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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