AG00967T

1092350-87-2 | 8-Bromo-6-fluorochroman-4-one

AG00967T

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CAS Number	1092350-87-2
Catalog Number	AG00967T(AGN-PC-0WAM9Z)
Chemical Name	8-Bromo-6-fluorochroman-4-one
IUPAC Name	8-bromo-6-fluoro-2,3-dihydrochromen-4-one
InChI	InChI=1S/C9H6BrFO2/c10-7-4-5(11)3-6-8(12)1-2-13-9(6)7/h3-4H,1-2H2
InChI Key	KBLVYCPSTDBXCB-UHFFFAOYSA-N
MDL Number	MFCD11104781
Molecular Formula	C9H6BrFO2
Molecular Weight	245.0451
SMILES	O=C1CCOC2=C1C=C(F)C=C2Br
Synonyms	8-Bromo-6-fluorochroman-4-one, 1092350-87-2, KS-00000T0R, MFCD11104781, ZINC34974997, AKOS009328685, DS-8148, AK172727, 8-bromo-6-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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