AG003L03

6939-93-1 | 4-Bromoisophthalic acid

AG003L03

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CAS Number	6939-93-1
Catalog Number	AG003L03(AGN-PC-0JLT72)
Chemical Name	4-Bromoisophthalic acid
EC Number	230-078-3
IUPAC Name	4-bromobenzene-1,3-dicarboxylic acid
InChI	InChI=1S/C8H5BrO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key	MSQIEZXCNYUWHN-UHFFFAOYSA-N
MDL Number	MFCD00002404
Molecular Formula	C8H5BrO4
Molecular Weight	245.0269
NSC Number	38770
SMILES	OC(=O)C1=CC(C(O)=O)=C(Br)C=C1
Synonyms	4-bromoisophthalic acid, 4-Bromoisophthalic acid, 6939-93-1, 4-bromobenzene-1,3-dicarboxylic acid, 1,3-Benzenedicarboxylic acid, 4-bromo-, 4-Bromoisophthalicacid, MSQIEZXCNYUWHN-UHFFFAOYSA-N, MFCD00002404, FR-2125, 2-BROMOBENZENE-1,5-DICARBOXYLIC ACID, AC-509/25001970, EINECS 230-078-3, 4-bromo-1,3-benzenedicarboxylic acid, PubChem12479, AC1Q5TO4, TimTec1_004155, CHEMWISH IC03530, SCHEMBL70653, KSC354C4D, ACMC-209o83, 4-Bromoisophthalic acid, 95%, AC1L315X, CTK2F4141, MSQIEZXCNYUWHN-UHFFFAOYSA-, ZINC39104, DTXSID50219509, HMS1545M19, BCP27345, NSC38770, ZX-AT007225, ANW-35665, NSC-38770, OR3158, RW3418, SBB003189, AKOS015835303, 1,3-Benzenedicarboxylicacid, 4-bromo-, FCH1319905, MCULE-5017191964, PS-4840, QC-2717, RP28672, RTR-023097, TRA0067737, VZ28607, AJ-08823, AK-30133, AN-18125, BC003656, CC-18463, R479, SC-58169, ST055643, AB0018182, AX8010873, DB-055270, TR-023097, FT-0083665, FT-0617894, ST24028973, KS-00001141, A15758, M-1653, 939B931, C-14859, J-514821, InChI=1/C8H5BrO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13), 1, 4-bromo-, C8H5BrO4, C8-H5-Br-O4, CID81361, AR-1G1286, ACN-040283, 4-Bromoisophthalic acid, 97% - 25G 25g, B1260, 7148-63-2,

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	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number