AG003PLK

51760-21-5 | Dimethyl 5-bromoisophthalate

AG003PLK

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CAS Number	51760-21-5
Catalog Number	AG003PLK(AGN-PC-0JLE1I)
Chemical Name	Dimethyl 5-bromoisophthalate
EC Number	257-386-0
IUPAC Name	dimethyl 5-bromobenzene-1,3-dicarboxylate
InChI	InChI=1S/C10H9BrO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,1-2H3
InChI Key	QUJINGKSNJNXEB-UHFFFAOYSA-N
MDL Number	MFCD00078709
Molecular Formula	C10H9BrO4
Molecular Weight	273.0801
SMILES	O=C(OC)c1cc(cc(c1)Br)C(=O)OC
Synonyms	Dimethyl 5-bromoisophthalate, 51760-21-5, 5-bromoisophthalic acid dimethyl ester, Dimethyl-5-bromoisophthalate, 1,3-Benzenedicarboxylic acid, 5-bromo-, dimethyl ester, Dimethyl 5-bromobenzene-1,3-dicarboxylate, 1,3-dimethyl 5-bromobenzene-1,3-dicarboxylate, Dimethyl5-bromoisophthalate, 5-Bromo-isophthalic acid dimethyl ester, 1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester, QUJINGKSNJNXEB-UHFFFAOYSA-N, MFCD00078709, methyl 5-bromo-3-(methoxycarbonyl)benzoate, 5-Bromoisophthalic acid, dimethyl ester, EINECS 257-386-0, ACMC-1AUMQ, AC1L2VTZ, dimethy 5-bromoisophthalate, dimethyl 5-bromoisophtalate, AC1Q5Z4I, KSC498A8J, SCHEMBL184614, Dimethyl 5-bromoisophthalate #, AC1Q42Z9, DTXSID9068667, CTK3J8084, KS-00000BSI, ZINC393349, Dimethyl 5-bromoisophthalate, 97%, 5-bromoisophthalic acid dimethylester, ANW-46368, CL9096, SBB044931, AKOS000274971, AM84195, CD-1760, CS-W008948, DS-1835, MCULE-8938257821, OR01002, RTX-012320, TRA0100292, AC-12317, AJ-21280, AK-86285, AN-41220, CJ-03587, SC-25749, SY026145, ZB012241, Dimethyl 5-bromo-1,3-benzenedicarboxylate, DB-009217, D4068, FT-0082052, FT-0601889, ST24033157, ST50408729, TL80090615, MFCD00078709 (97%), Dimethyl 5-bromoisophthalate, >=98.0% (GC), M-4580, 760D215, J-520364, I14-26093, C10H9BrO4, C10-H9-Br-O4, AR-1I5593, CID103954, Dimethyl 5-bromoisophthalate, 98% - 1G 1g, 529-02-2,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	271.968g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	273.082g/mol
Monoisotopic Mass	271.968g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number