AG003370

586-35-6 | 2-Bromoterephthalic acid

AG003370

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CAS Number	586-35-6
Catalog Number	AG003370(AGN-PC-0JL8IE)
Chemical Name	2-Bromoterephthalic acid
EC Number	209-572-8
IUPAC Name	2-bromoterephthalic acid
InChI	InChI=1S/C8H5BrO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key	QPBGNSFASPVGTP-UHFFFAOYSA-N
MDL Number	MFCD00002403
Molecular Formula	C8H5BrO4
Molecular Weight	245.0269
NSC Number	3985
SMILES	BrC1=C(C(=O)O)C=CC(=C1)C(=O)O
Synonyms	2-Bromoterephthalic acid, 586-35-6, Bromoterephthalic acid, 2-bromobenzene-1,4-dicarboxylic acid, 2-Bromo-terephthalic acid, 2-Bromoterephthalicacid, 2-Bromo-1,4-benzenedicarboxylic acid, 1,4-Benzenedicarboxylic acid, 2-bromo-, 2-Bromoterephthalic acid, 95%, QPBGNSFASPVGTP-UHFFFAOYSA-N, LABOTEST-BB LT00454996, MFCD00002403, EINECS 209-572-8, PubChem12798, AC1Q5TYH, 2-Bromo terephthalic acid, ACMC-1AOY9, SCHEMBL71015, KSC272M3R, EMOLECULES 478414, AC1L29W7, CTK1H2638, TIMTEC-BB SBB012452, ZINC56405, DTXSID50207320, NSC3985, ACT10361, NSC-3985, ANW-32997, LABOTEST-BB LT03330774, SBB012452, STK387445, AKOS003239804, 1,4-Benzenedicarboxylicacid, 2-bromo-, AC-9572, AS03470, CB-1487, CM13817, CS-W012728, MCULE-9107598887, ML01028, PS-6195, RL04210, RTR-020370, TRA0087502, AJ-09242, AK-35763, AN-46124, BC003698, BP-21371, BR-35763, SC-44731, ST069363, AB0010328, DB-020743, ST2404285, TR-020370, 4CH-017864, A8293, FT-0611613, FT-0689429, M-1651, I01-1497, Q-101985, InChI=1/C8H5BrO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13, C8H5BrO4, C8-H5-Br-O4, CID68513, 2-Bromoterephthalic acid, 97% 5g, AR-1D9743, ACN-050299, B1321, 2-Bromoterephthalic acid, 97.5% - 100g 100g, 6035-94-5,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.937g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	245.028g/mol
Monoisotopic Mass	243.937g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code	UN 2811

Certificate of Analysis

Lot Number