AG003J51

6940-49-4 | 3-BroMoisobenzofuran-1(3H)-one

AG003J51

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CAS Number	6940-49-4
Catalog Number	AG003J51(AGN-PC-0JM1RE)
Chemical Name	3-BroMoisobenzofuran-1(3H)-one
EC Number	230-084-6
IUPAC Name	3-bromo-3H-2-benzofuran-1-one
InChI	InChI=1S/C8H5BrO2/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7H
InChI Key	CLMSHAWYULIVFQ-UHFFFAOYSA-N
MDL Number	MFCD00040520
Molecular Formula	C8H5BrO2
Molecular Weight	213.0281
NSC Number	60137
SMILES	BrC1c2c(C(=O)O1)cccc2
Synonyms	3-Bromophthalide, 6940-49-4, 3-bromoisobenzofuran-1(3H)-one, Phthalidyl bromide, 3-bromo phthalide, 2-Bromophthalide, bromophthalide, 3-Bromo-1(3H)-isobenzofuranone, 1(3H)-Isobenzofuranone, 3-bromo-, 1(3H)-Isobenzofuranone, bromo-, 3-bromo-3H-isobenzofuran-1-one, AK-80046, W-104627, 3-bromophtalide, 3-bromophthalid, 3 bromo phthalide, NSC60137, EINECS 230-084-6, NSC 60137, PubChem12493, AC1L3VZW, 3-BROMO-PHTHALIDE, (+/-)-3-Bromophthalide, 3-bromo-1-isobenzofuranone, AC1Q6HB1, SCHEMBL304982, ACMC-209o85, SCHEMBL12991705, CTK3J2460, KS-00000EAQ, 3-bromo-3H-2-benzofuran-1-one, CLMSHAWYULIVFQ-UHFFFAOYSA-N, 3-bromo-2-benzofuran-1(3H)-one, 3-bromo-1-(3h)-iso-benzofuranone, EBD23006, 3-bromanyl-3H-2-benzofuran-1-one, ANW-35667, MFCD00040520, NSC-60137, 1H-Isobenzofuran-3-on-1-yl Bromide, AKOS005216059, FCH1320324, LS40549, MCULE-1893086762, RL04654, RTC-063835, VZ26518, (+/-)-3-Bromo-1(3H)-isobenzofuranone, AS-14530, BC003662, BC220361, CC-14540, L498, OR315754, SC-17484, SY036169, 3-bromo-1,3-dihydro-2-benzofuran-1-one, AX8005694, DB-055271, ST2404997, TC-063835, B1068, FT-0615239, MFCD00040520 (97%), A19065, 940B494, A844866, C-11190, I01-2817, C8H5BrO2, C8-H5-Br-O2, 3-Chloro-alpha-methylbenzyl alcohol, CID96218, AR-1L0948, 94-18-8,

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	1
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319
Precuationary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Siginal words

Certificate of Analysis

Lot Number