AG003KXR

56518-42-4 | 4-Bromo-3,5-dimethoxybenzoic acid

AG003KXR

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CAS Number	56518-42-4
Catalog Number	AG003KXR(AGN-PC-0KKVV2)
Chemical Name	4-Bromo-3,5-dimethoxybenzoic acid
IUPAC Name	4-bromo-3,5-dimethoxybenzoic acid
InChI	InChI=1S/C9H9BrO4/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4H,1-2H3,(H,11,12)
InChI Key	JNFZULSIYYVRJO-UHFFFAOYSA-N
MDL Number	MFCD01632140
Molecular Formula	C9H9BrO4
Molecular Weight	261.0694
SMILES	O=C(O)C1=CC(OC)=C(Br)C(OC)=C1
Synonyms	4-Bromo-3,5-dimethoxybenzoic acid, 56518-42-4, MFCD01632140, Benzoic acid, 4-bromo-3,5-dimethoxy-, zlchem 1334, AC1MCNTO, ACMC-1AZ7R, AC1Q47JG, SCHEMBL976822, CTK1H5182, JNFZULSIYYVRJO-UHFFFAOYSA-, DTXSID70378849, ZLE0112, JNFZULSIYYVRJO-UHFFFAOYSA-N, 3,5-Dimethoxy-4-bromobenzoic acid, ACT01072, ZINC2382617, AM1079, ANW-32523, SBB064169, AKOS001321234, MCULE-8530842553, TRA0066463, VZ28505, KS-000010R3, AJ-34879, AS-15609, Q030, 4-Bromo-3,5-dimethoxybenzoic acid, 97%, DB-052927, ST2405619, TC-121268, TL8003656, B2838, FT-0640392, FT-0653777, ST50408618, EN300-15138, M-1495, I01-6471, Z220564330, InChI=1/C9H9BrO4/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4H,1-2H3,(H,11,12), C9H9BrO4, 4-bromo-3,5-dimethoxy benzoic acid, 4-bromo-3,5-dimethoxy-benzoic Acid, CID2774026, 4-Bromo-3,5-dimethoxybenzoic acid, 98% - 1G 1g,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.968g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	261.071g/mol
Monoisotopic Mass	259.968g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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