Methyl 6-bromo-3,4-dimethoxybenzoate

CAT: 0926-FB70592-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-FB70592-01Size:5 g

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CAS Number

17667-32-2

Synonyms

Methyl 6-bromoveratrate; Methyl-2-bromo-4,5-dimethoxybenzoate

MDL Number

MFCD00017182

Smiles

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

Molecular Formula

C10H11BrO4

Molecular Weight

275.1 g/mol

Controlled

Chemical Information

Methyl 2-bromo-4,5-dimethoxybenzoate

CAS Number	17667-32-2
PubChem CID	2817399
IUPAC Name	methyl 2-bromo-4,5-dimethoxybenzoate
Molecular Formula	C10H11BrO4
Molecular Weight	275.10
XLogP	2.4
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	221

SMILES

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

InChI

InChI=1S/C10H11BrO4/c1-13-8-4-6(10(12)15-3)7(11)5-9(8)14-2/h4-5H,1-3H3

InChIKey

BCUHOZBMHZWCGL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17667-32-2

CID: 2817399

Formula: C10H11BrO4

MW: 275.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	275.10
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	273.98407
Monoisotopic Mass	273.98407
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	221
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
ACA77279-01	Methyl 3-bromo-4,5-dimethoxybenzoate
FM29131-01	Methyl 3,4-dimethoxybenzoate
EIA84921-01	Methyl 3-bromo-2,5-dimethoxybenzoate
EQA22826	Methyl 2-Amino-4,6-dimethoxybenzoate
FM69841-01	Methyl 2,6-dimethoxybenzoate
FM61761-01	Methyl 3,5-dimethoxybenzoate
FQA19395-01	(Cyclopropylcarbamoyl) methyl 3,5-dimethoxybenzoate
DCA01284-01	Methyl 2-formyl-4,5-dimethoxybenzoate
FM34736-01	Methyl 2-amino-4,5-dimethoxybenzoate
IXB29584-01	Ethyl 2-amino-4,6-dimethoxybenzoate

Catalog	Name
OR1099888-01	Methyl 4-bromo-2,6-dimethoxybenzoate
OR1092963-01	Methyl 2-bromo-4,6-dimethoxybenzoate
OR1098421	Methyl 3-bromo-2,6-dimethoxybenzoate
OR5931-01	Methyl 4-bromo-3,5-dimethoxybenzoate
OR1100753-01	Methyl 3-bromo-2,4-dimethoxybenzoate
OR1050920-01	Methyl 3-bromo-4,5-dimethoxybenzoate
282998-01	Methyl 3,4-dimethoxybenzoate
sc-338029A	Methyl-2-bromo-4,5-dimethoxybenzoate
OR95635-01	Methyl 5-bromo-2,4-dimethoxybenzoate
OR1074196-01	Methyl 2-bromo-4,5-dimethoxybenzoate