Methyl 3-bromo-4-hydroxybenzoate

CAT: 0127-OR908176Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR908176Size:25 g

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CAS Number

29415-97-2

MDL Number

MFCD06203850

Purity

98%

Smiles

COC(=O)c1ccc(O)c(Br)c1

Chemical Information

Methyl 3-bromo-4-hydroxybenzoate

CAS Number	29415-97-2
PubChem CID	4778958
IUPAC Name	methyl 3-bromo-4-hydroxybenzoate
Molecular Formula	C8H7BrO3
Molecular Weight	231.04
XLogP	2.4
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=CC(=C(C=C1)O)Br

InChI

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

InChIKey

RKUNSPWAQIUGEZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29415-97-2

CID: 4778958

Formula: C8H7BrO3

MW: 231.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.04
XLogP3	2.4
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
OR9408-01	Methyl 4-bromo-3-hydroxybenzoate
OR400066-01	Methyl 4-bromo-2-hydroxybenzoate
OR400687-01	Methyl 2-bromo-4-hydroxybenzoate
OR1047428-01	Methyl 3-bromo-4-chloro-5-hydroxybenzoate
OR82870-01	Methyl 3-bromo-5-formyl-4-hydroxybenzoate
PC103438-01	Methyl 4-bromo-2-fluoro-3-hydroxybenzoate
OR40407	Methyl 4-amino-3-bromo-2-hydroxybenzoate
PC1024087-01	Methyl 3-bromo-4-fluoro-5-hydroxybenzoate
PC48605-01	Methyl 4-bromo-3-fluoro-2-hydroxybenzoate
PC502067	Methyl 3-bromo-5-fluoro-4-hydroxybenzoate

Catalog	Name
TRC-M296110-100MG	Methyl 3-bromo-4-hydroxybenzoate
FM138055-01	Methyl-3-bromo-4-hydroxybenzoate
sc-263624A	Methyl 4-bromo-3-hydroxybenzoate
RG-A262523-01	Methyl 2-Bromo-4-Hydroxybenzoate
KGA75384-01	Methyl 3-Acetyl-5-bromo-4-hydroxybenzoate
455147-01	Methyl 3-amino-5-bromo-4-hydroxybenzoate
AL BF 0407-01	Methyl 3-bromo-5-ethoxy-4-hydroxybenzoate
SID43254-01	Methyl 4-bromo-2-formyl-3-hydroxybenzoate
GDB82079-01	Methyl 3-bromo-5-formyl-4-hydroxybenzoate
sc-482306	Methyl 3-bromo-2-hydroxybenzoate