AG007HBU

34126-16-4 | Methyl 4-bromo-3,5-dihydroxybenzoate

AG007HBU

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CAS Number	34126-16-4
Catalog Number	AG007HBU(AGN-PC-0JLLXU)
Chemical Name	Methyl 4-bromo-3,5-dihydroxybenzoate
IUPAC Name	methyl 4-bromo-3,5-dihydroxybenzoate
InChI	InChI=1S/C8H7BrO4/c1-13-8(12)4-2-5(10)7(9)6(11)3-4/h2-3,10-11H,1H3
InChI Key	UXSHRKILYILVSD-UHFFFAOYSA-N
MDL Number	MFCD03840476
Molecular Formula	C8H7BrO4
Molecular Weight	247.0428
SMILES	O=C(OC)C1=CC(O)=C(Br)C(O)=C1
Synonyms	methyl 4-bromo-3,5-dihydroxybenzoate, 34126-16-4, Benzoic acid, 4-bromo-3,5-dihydroxy-, methyl ester, methyl 4-bromo-3,5-dihydroxy-benzoate, 4-Bromo-3,5-dihydroxybenzoic acid, methyl ester, AC1L3N9E, AC1Q25IE, SCHEMBL289398, DTXSID8067814, CTK4H1769, UXSHRKILYILVSD-UHFFFAOYSA-N, ZINC5997470, CM-165, MFCD03840476, FCH1335464, ACM34126164, AJ-55434, AS-44981, DA-06676, AX8281930, FT-0733577, 3,5-Dihydroxy-4-bromobenzoic acid methyl ester, 4-Bromo-3,5-dihydroxybenzoic acid methyl ester, 4-Bromo-3,5-dihydroxy-benzoic acid methyl ester, Benzoic acid,4-bromo-3,5-dihydroxy-, methyl ester, C8-H7-Br-O4, AR-1J5411, CID118602, methyl4-bromo-3,5-dihydroxy-benzoate, 35318-47-9,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.953g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	247.044g/mol
Monoisotopic Mass	245.953g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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