AG002EPD

19063-55-9 | 2H-1-Benzopyran-2-one, 6-bromo-

AG002EPD

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CAS Number	19063-55-9
Catalog Number	AG002EPD(AGN-PC-0JP9AV)
Chemical Name	2H-1-Benzopyran-2-one, 6-bromo-
IUPAC Name	6-bromochromen-2-one
InChI	InChI=1S/C9H5BrO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H
InChI Key	XXRJDOQENVGLJT-UHFFFAOYSA-N
MDL Number	MFCD01327473
Molecular Formula	C9H5BrO2
Molecular Weight	225.0388
NSC Number	146624
SMILES	C1=C(Br)C=CC2=C1C=CC(O2)=O
Synonyms	6-bromochromen-2-one, 19063-55-9, 6-bromo-2H-chromen-2-one, 2H-1-Benzopyran-2-one, 6-bromo-, 2H-1-Benzopyran-2-one,6-bromo-, AK-26888, 6-bromocoumarin, 6-Bromcumarin, NSC146624, 6-bromo-chromen-2-one, AMTH149, SCHEMBL875198, AC1L66T7, AC1Q26Z8, CHEMBL1650558, CTK4E0431, KS-00000HMZ, DTXSID20301844, 6-Bromo-2H-1-benzopyran-2-one, ZINC1728863, ANW-50731, MFCD01327473, AKOS015834771, AS-3079, CS-W005186, FCH1332640, NSC-146624, RP27550, ACM19063559, AJ-31163, BR-26888, CJ-06923, AB0023104, AX8159712, ST2412251, TR-033511, 4CH-008428, W4098, 10.14272/XXRJDOQENVGLJT-UHFFFAOYSA-N, S-4835, doi:10.14272/XXRJDOQENVGLJT-UHFFFAOYSA-N, J-518428, C9H5BrO2, AR-1H1055, CID287181, 19147-34-3,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.947g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.041g/mol
Monoisotopic Mass	223.947g/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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