AG0034C3

49660-57-3 | 6-Bromo-4-chromanone

AG0034C3

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CAS Number	49660-57-3
Catalog Number	AG0034C3(AGN-PC-0L71M5)
Chemical Name	6-Bromo-4-chromanone
IUPAC Name	6-bromo-2,3-dihydrochromen-4-one
InChI	InChI=1S/C9H7BrO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
InChI Key	PFLPVOXSUCCZDH-UHFFFAOYSA-N
MDL Number	MFCD00546803
Molecular Formula	C9H7BrO2
Molecular Weight	227.0547
SMILES	BrC=1C=C2C(CCOC2=CC1)=O
Synonyms	6-bromochroman-4-one, 49660-57-3, 6-bromo-2,3-dihydro-4H-chromen-4-one, 6-Bromo-4-chromanone, 6-bromo-2,3-dihydrochromen-4-one, 6-Bromo-3,4-Dihydro-2H-1-Benzopyran-4-One, 4H-1-Benzopyran-4-one, 6-bromo-2,3-dihydro-, 4H-1-BENZOPYRAN-4-ONE,6-BROMO-2,3-DIHYDRO-, 6-BROMO-2,3-DIHYDRO-4H-1-BENZOPYRAN-4-ONE, zlchem 451, PubChem17577, ACMC-209khb, 6-bromo-chroman-4-one, AC1N5MJI, SCHEMBL67609, AN-829/25042004, KSC497O3D, AC1Q259T, AC1Q259U, AMOT0757, CTK3J7731, DTXSID70400710, EBD8480, ZLC0313, PFLPVOXSUCCZDH-UHFFFAOYSA-N, ACT03103, KS-00000C4V, ZINC6322598, ANW-30813, CB-862, MFCD00546803, SBB042709, STL227812, AKOS000268895, AB06437, AC-7676, ACN-040027, AT-7979, CS-W019780, FS-2895, MCULE-8414027389, RP27688, RP27689, RTC-030449, TRA0088284, VZ30679, 6-bromo-3,4-dihydro-2H-chromen-4-one, AJ-56072, AK-28001, BC250528, BR-28001, CJ-12976, SC-46712, SY019816, 6-bromo-2,3-dihydro-1-benzopyran-4-one, AB0025111, ST2412250, TC-030449, 4CH-003209, AM20040566, FT-0080871, FT-0601161, ST45174920, W6518, EN300-26780, S-5277, MFCD00546803 (97+%), 660B573, I01-2813, J-518427, J-519158, 6-Bromochromanone, 6-Bromochromone, 7-Bromochroman-4-one, C9H7BrO2, CID4197451, 51483-92-2,

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	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number