5-Bromo-2-hydroxy-3-methoxybenzoic acid

CAT: 0926-FB70650-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-FB70650-01Size:500 mg

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CAS Number

35090-76-7

Synonyms

5-Bromo-O-vanillic acid

MDL Number

MFCD02258870

Smiles

COC1=CC (=CC (=C1O) C (=O) O) Br

Molecular Formula

C8H7BrO4

Molecular Weight

247.04 g/mol

Controlled

Chemical Information

5-Bromo-2-hydroxy-3-methoxybenzoic acid

CAS Number	35090-76-7
PubChem CID	13596081
IUPAC Name	5-bromo-2-hydroxy-3-methoxybenzoic acid
Molecular Formula	C8H7BrO4
Molecular Weight	247.04
XLogP	2.6
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	197

SMILES

COC1=CC(=CC(=C1O)C(=O)O)Br

InChI

InChI=1S/C8H7BrO4/c1-13-6-3-4(9)2-5(7(6)10)8(11)12/h2-3,10H,1H3,(H,11,12)

InChIKey

VQCPZBYERTTWDS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35090-76-7

CID: 13596081

Formula: C8H7BrO4

MW: 247.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	247.04
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	245.95277
Monoisotopic Mass	245.95277
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	197
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
HFA02040-01	3-Bromo-2-hydroxy-5-methoxybenzoic acid
YDA43741	2-Bromo-5-hydroxy-4-methoxybenzoic acid
GAA32452-01	3-Bromo-4-hydroxy-5-methoxybenzoic acid
LCA22725-01	5-Hydroxy-2-methoxybenzoic acid
FB33025-01	3-Bromo-5-methoxybenzoic acid
VZB53248-01	3-Chloro-2-hydroxy-5-methoxybenzoic acid
ZGB26901	2-hydroxy-3-methoxybenzoic acid, 2-hydroxy-3-methoxybenzoic acid, copper salt
FH71354-01	2-Hydroxy-3-methoxybenzoic acid
JWC03492-01	5-Bromo-3-fluoro-2-methoxybenzoic acid
MKB57786-01	2-Amino-3-bromo-5-methoxybenzoic acid

Catalog	Name
OR79887-01	5-Bromo-2-hydroxy-3-methoxybenzoic acid
OR470594-01	2-Bromo-5-hydroxy-4-methoxybenzoic acid
OR1069789-01	2-Bromo-4-hydroxy-5-methoxybenzoic acid
OR400493-01	5-Bromo-2-hydroxy-4-methoxybenzoic acid
OR1056102-01	3-Bromo-5-hydroxy-4-methoxybenzoic acid
OR400656	5-Bromo-4-hydroxy-2-methoxybenzoic acid
TRC-H855035-100MG	5-Hydroxy-2-methoxybenzoic acid
sc-238073A	2-Hydroxy-5-methoxybenzoic acid
OR78133-01	3-Hydroxy-5-methoxybenzoic acid
159440	2-Bromo-5-methoxybenzoic Acid