AG005LZV

676134-68-2 | 6-Bromoisochroman-4-one

AG005LZV

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CAS Number	676134-68-2
Catalog Number	AG005LZV(AGN-PC-07CSXU)
Chemical Name	6-Bromoisochroman-4-one
IUPAC Name	6-bromo-1H-isochromen-4-one
InChI	InChI=1S/C9H7BrO2/c10-7-2-1-6-4-12-5-9(11)8(6)3-7/h1-3H,4-5H2
InChI Key	KOROTCDTJPLXMA-UHFFFAOYSA-N
MDL Number	MFCD09744079
Molecular Formula	C9H7BrO2
Molecular Weight	227.0547
SMILES	O=C1COCC2=C1C=C(Br)C=C2
Synonyms	6-Bromoisochroman-4-one, 676134-68-2, 6-Bromo-4-Isochromanone, 6-Bromo-isochroman-4-one, AK-72488, 6-bromo-3,4-dihydro-1H-2-benzopyran-4-one, PubChem17497, 6-bromo-isochromen-4-one, 6-bromo-1H-isochromen-4-one, SCHEMBL3174866, 6-bromanyl-1H-isochromen-4-one, CTK5C6401, KS-00000FDW, DTXSID80670467, KOROTCDTJPLXMA-UHFFFAOYSA-N, BCP06687, ANW-52580, CB-870, MFCD09744079, ZINC49588550, AKOS015915219, 6-Bromo-1H-2-benzopyran-4(3H)-one, FCH1392491, 1H-2-Benzopyran-4(3H)-one,6-bromo-, 6-Bromo-1,1-dimethyl-Isochroman-4-one, BC004251, DS-15132, SC-50313, 1H-2-Benzopyran-4(3H)-one, 6-bromo-, AJ-111353, AX8108499, TX-017291, FT-0652526, ST24029697, X5479, A835826, I14-7306, C9H7BrO2,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.963g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.057g/mol
Monoisotopic Mass	225.963g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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