6-Bromo-2,3-dimethoxybenzoic acid

CAT: 0926-FB70788-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-FB70788-01Size:5 mg

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CAS Number

60555-93-3

MDL Number

MFCD04038838

Smiles

COC1=C (C (=C (C=C1) Br) C (=O) O) OC

Molecular Formula

C9H9BrO4

Molecular Weight

261.07 g/mol

Controlled

Chemical Information

6-Bromo-2,3-dimethoxybenzoic acid

CAS Number	60555-93-3
PubChem CID	11054430
IUPAC Name	6-bromo-2,3-dimethoxybenzoic acid
Molecular Formula	C9H9BrO4
Molecular Weight	261.07
XLogP	2.1
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	209

SMILES

COC1=C(C(=C(C=C1)Br)C(=O)O)OC

InChI

InChI=1S/C9H9BrO4/c1-13-6-4-3-5(10)7(9(11)12)8(6)14-2/h3-4H,1-2H3,(H,11,12)

InChIKey

AJANRRXNCDJJFF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60555-93-3

CID: 11054430

Formula: C9H9BrO4

MW: 261.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	261.07
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	259.96842
Monoisotopic Mass	259.96842
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	209
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FB70564-01	3-Bromo-2,6-dimethoxybenzoic acid
MCA82749-01	2-Bromo-4,6-dimethoxybenzoic acid
WCA56887-01	2-Bromo-3,4-dimethoxybenzoic acid
FB70652-01	5-Bromo-2,3-dimethoxybenzoic acid
AEA94012-01	3-Bromo-2,5-dimethoxybenzoic acid
FD10523-01	2,6-Dimethoxybenzoic acid
ACA47210-01	2-Amino-3,6-dimethoxybenzoic acid
ZJB84103-01	3- (Chlorosulfonyl) -2,6-dimethoxybenzoic acid
CCA18967-01	3-Fluoro-2,6-dimethoxybenzoic acid
KBA45839-01	4-Bromo-2,5-dimethoxybenzoic acid

Catalog	Name
OR1048214-01	6-Bromo-2,3-dimethoxybenzoic acid
OR1085035-01	2-bromo-3,6-dimethoxybenzoic acid
OR21583-01	3-Bromo-2,6-dimethoxybenzoic acid
OR1093202	2-Bromo-4,6-dimethoxybenzoic acid
OR1034019-01	4-Bromo-2,6-dimethoxybenzoic acid
266492-01	3-Bromo-2,6-dimethoxybenzoic acid methyl ester
PC1014089-01	6-Bromo-2-fluoro-3,4-dimethoxybenzoic acid
PC1024230-01	3-Bromo-2-fluoro-5,6-dimethoxybenzoic acid
OR111641	3-Bromo-5-chloro-2,6-dimethoxybenzoic acid
OR1079922	3-bromo-2,5-dimethoxybenzoic acid