AG00D812

54450-20-3 | 5-Bromo-3(2H)-benzofuranone

AG00D812

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CAS Number	54450-20-3
Catalog Number	AG00D812(AGN-PC-0N5A5U)
Chemical Name	5-Bromo-3(2H)-benzofuranone
IUPAC Name	5-bromo-1-benzofuran-3-one
InChI	InChI=1S/C8H5BrO2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3H,4H2
InChI Key	UXUCDQLDYILHQI-UHFFFAOYSA-N
MDL Number	MFCD06738724
Molecular Formula	C8H5BrO2
Molecular Weight	213.0281
SMILES	BrC1=CC2=C(C=C1)OCC2=O
Synonyms	54450-20-3, 5-Bromobenzofuran-3(2H)-one, 5-Bromo-3(2H)-benzofuranone, 5-Bromo-benzofuran-3-one, 5-bromobenzofuran-3-one, 5-bromo-2,3-dihydro-1-benzofuran-3-one, 5-Iodo-3-Benzofuranone, 5-Bromo-1-benzofuran-3(2H)-one, PubChem18005, 5-Bromocoumaran-3-one, AC1Q259S, AMOT0776, SCHEMBL1143565, 3(2H)-Benzofuranone,5-bromo-, 5-bromo-3-(2H)-benzofuranone, CTK3J7753, DTXSID80441058, UXUCDQLDYILHQI-UHFFFAOYSA-N, BH771, KS-00000K2Y, ANW-50929, CB-874, FC0565, MFCD06738724, SBB068517, ZINC16083116, 5-bromo-2-hydrobenzo[b]furan-3-one, 5-Bromo-2,3-dihydrobenzofuran-3-one, AKOS000223982, AS06367, CM10486, CM10771, CS-W019488, FS-2900, QC-9971, RP26710, RTC-063949, VZ30142, AJ-68193, AK-28271, BC004233, BR-28271, CJ-15292, SC-19535, SY009757, AB0025411, DB-009927, DB-071855, ST2411877, TC-063949, A5832, AM20040683, AM20120610, FT-0648623, W6870, EN300-70564, MFCD06738724 (95%), A22708, S-5272, I14-7284, J-013096, J-517003, J-518351, 6-Bromobenzofurane, 6-Bromo-benzofuran, 5-Bromo-3-Benzofuranone, 6-bromo-1-benzofuran, 6-BROMOBENZOFURAN, 6-Iodo-3-Benzofuranone, C8H5BrO2, 6-iodobenzofuran-3(2H)-one, BENZOFURAN, 6-BROMO-, 6-Bromo-3(2H)-benzofuranone, 3(2h)-benzofuranone,6-bromo-, 3(2H)-Benzofuranone, 6-bromo-, 5-bromo-2H-1-benzofuran-3-one, 6-Chlorobenzo[b]furan-3(2H)-one, 3(2H)-BENZOFURANONE, 5-BROMO-, 6-chloro-2-hydrobenzo[b]furan-3-one, 6-CHLORO-3(2H)-BENZOFURANONE, ACN-041111, CID10512748, 3(2H)-BENZOFURANONE, 6-CHLORO-, 5-BROMOBENZO[B]FURAN-3(2H)-ONE, 3260-78-4, 6-CHLORO-2,3-DIHYDRO-1-BENZOFURAN-3-ONE, 3261-05-0, 201809-69-0,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.947g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.03g/mol
Monoisotopic Mass	211.947g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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