2-Bromo-4-hydroxy-5-methoxybenzoic acid

CAT: 0127-OR1069789-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1069789-01Size:100 mg

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CAS Number

90050-65-0

MDL Number

MFCD28247074

Purity

97%

Smiles

O=C(O)C1=CC(OC)=C(O)C=C1Br

Chemical Information

2-Bromo-4-hydroxy-5-methoxybenzoic acid

CAS Number	90050-65-0
PubChem CID	71430567
IUPAC Name	2-bromo-4-hydroxy-5-methoxybenzoic acid
Molecular Formula	C8H7BrO4
Molecular Weight	247.04
XLogP	1.8
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=C(C=C(C(=C1)C(=O)O)Br)O

InChI

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

InChIKey

JIPNYFGKCMJPMM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 90050-65-0

CID: 71430567

Formula: C8H7BrO4

MW: 247.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	247.04
XLogP3	1.8
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
OR400493-01	5-Bromo-2-hydroxy-4-methoxybenzoic acid
OR470594-01	2-Bromo-5-hydroxy-4-methoxybenzoic acid
OR400656	5-Bromo-4-hydroxy-2-methoxybenzoic acid
OR1056102-01	3-Bromo-5-hydroxy-4-methoxybenzoic acid
OR79887-01	5-Bromo-2-hydroxy-3-methoxybenzoic acid
OR77415-01	5-Hydroxy-2-methoxybenzoic acid
OR1094445-01	5-chloro-4-hydroxy-2-methoxybenzoic acid
BUP18980	2-Hydroxy-4-methoxybenzoic acid
OR8922-01	4-Hydroxy-2-methoxybenzoic acid
OR14335-01	2-Hydroxy-4-methoxybenzoic acid

Catalog	Name
YDA43741	2-Bromo-5-hydroxy-4-methoxybenzoic acid
sc-226923	5-Bromo-2-hydroxy-4-methoxybenzoic acid
GAA32452-01	3-Bromo-4-hydroxy-5-methoxybenzoic acid
TRC-B801133-2.5G	3-Bromo-5-hydroxy-4-methoxybenzoic Acid
HFA02040-01	3-Bromo-2-hydroxy-5-methoxybenzoic acid
FB70650-01	5-Bromo-2-hydroxy-3-methoxybenzoic acid
TRC-H855035-500MG	5-Hydroxy-2-methoxybenzoic acid
sc-238073A	2-Hydroxy-5-methoxybenzoic acid
HY-75625-01	2-Hydroxy-4-methoxybenzoic acid
417791	2-Fluoro-4-hydroxy-5-methoxybenzoic Acid