Methyl 3,5-dibromo-4-hydroxybenzoate

CAT: 0926-FM70987-01Size: 0.1 KgDry Ice: NoHazardous: No

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CAT#:0926-FM70987-01Size:0.1 Kg

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CAS Number

41727-47-3

MDL Number

MFCD00016416

Smiles

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

Molecular Formula

C8H6Br2O3

Molecular Weight

309.94 g/mol

Controlled

Chemical Information

Methyl 3,5-dibromo-4-hydroxybenzoate

CAS Number	41727-47-3
PubChem CID	726975
IUPAC Name	methyl 3,5-dibromo-4-hydroxybenzoate
Molecular Formula	C8H6Br2O3
Molecular Weight	309.94
XLogP	3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	186

SMILES

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

InChI

InChI=1S/C8H6Br2O3/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,11H,1H3

InChIKey

NVGJGYZKXBLIKY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41727-47-3

CID: 726975

Formula: C8H6Br2O3

MW: 309.94

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.94
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	309.86632
Monoisotopic Mass	307.86837
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	186
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
FM70934-01	Methyl 3,5-dibromo-2-hydroxybenzoate
FM70956-01	Methyl 3,5-dinitro-4-hydroxybenzoate
FM70161-01	Methyl 3,5-dichloro-4-hydroxybenzoate
FM03053-01	Methyl 4,5-dimethoxy-3-hydroxybenzoate
KGA75384-01	Methyl 3-Acetyl-5-bromo-4-hydroxybenzoate
GDB82079-01	Methyl 3-bromo-5-formyl-4-hydroxybenzoate
SCA97380	Methyl 3-amino-5-hydroxybenzoate
FM138034-01	Methyl 3-bromo-5-hydroxybenzoate
UXB72088-01	Methyl 4- (dimethylamino) -3-hydroxybenzoate
FM70660-01	Methyl 4-amino-3-hydroxybenzoate

Catalog	Name
OR7292-01	Methyl 3,5-dibromo-4-hydroxybenzoate
M15705	Methyl-3 5-Dibromo-4-Hydroxybenzoate 97%
sc-263594	Methyl 3,5-dibromo-2-hydroxybenzoate
sc-301059	Methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate
OR11563	Methyl 4-chloro-3,5-dibromo-2-hydroxybenzoate
PC1016779-01	Methyl 2,4-dibromo-6-fluoro-3-hydroxybenzoate
455316-01	Methyl 3,5-dichloro-4-hydroxybenzoate
sc-358327	Methyl 3,5-dimethoxy-4-hydroxybenzoate
sc-337969	Methyl 3,4-methoxy-5-hydroxybenzoate
OR1100240	Methyl 3,5-diformyl-4-hydroxybenzoate