Methyl 2-bromo-3-hydroxybenzoate

CAT: 0127-OR1069825-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1069825-01Size:100 mg

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CAS Number

1260783-82-1

MDL Number

MFCD10566795

Purity

97%

Smiles

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

Chemical Information

Methyl 2-bromo-3-hydroxybenzoate

CAS Number	1260783-82-1
PubChem CID	82390789
IUPAC Name	methyl 2-bromo-3-hydroxybenzoate
Molecular Formula	C8H7BrO3
Molecular Weight	231.04
XLogP	2.1
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	172

SMILES

COC(=O)C1=C(C(=CC=C1)O)Br

InChI

InChI=1S/C8H7BrO3/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4,10H,1H3

InChIKey

ASHUCZPMZTUROZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1260783-82-1

CID: 82390789

Formula: C8H7BrO3

MW: 231.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.04
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	229.95786
Monoisotopic Mass	229.95786
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
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
OR400052-01	Methyl 3-bromo-2-hydroxybenzoate
OR9408-01	Methyl 4-bromo-3-hydroxybenzoate
OR908176	Methyl 3-bromo-4-hydroxybenzoate
OR907586-01	Methyl 3-bromo-5-hydroxybenzoate
OR400066-01	Methyl 4-bromo-2-hydroxybenzoate
OR400061-01	Methyl 2-bromo-6-hydroxybenzoate
OR400687-01	Methyl 2-bromo-4-hydroxybenzoate
OR400090-01	Methyl 2-bromo-5-hydroxybenzoate
OR14417-01	Methyl 5-bromo-2-hydroxybenzoate
PC103438-01	Methyl 4-bromo-2-fluoro-3-hydroxybenzoate

Catalog	Name
sc-482306	Methyl 3-bromo-2-hydroxybenzoate
KAC78382-01	Methyl 2-bromo-3-hydroxybenzoate
TRC-M296110-100MG	Methyl 3-bromo-4-hydroxybenzoate
FM138055-01	Methyl-3-bromo-4-hydroxybenzoate
sc-263624A	Methyl 4-bromo-3-hydroxybenzoate
FM138034-01	Methyl 3-bromo-5-hydroxybenzoate
RG-A262523-01	Methyl 2-Bromo-4-Hydroxybenzoate
sc-506719	Methyl 3-amino-5-bromo-2-hydroxybenzoate
SID43254-01	Methyl 4-bromo-2-formyl-3-hydroxybenzoate
JH193449	Methyl 3-bromo-5-hydroxybenzoate, 97%