Methyl 3,5-dibromo-2-hydroxybenzoate

CAT: 0926-FM70934-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FM70934-01Size:25 g

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CAS Number

21702-79-4

Synonyms

Methyl 3,5-dibromosalicylate

MDL Number

MFCD00017534

Smiles

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

Molecular Formula

C8H6Br2O3

Molecular Weight

309.94 g/mol

Controlled

Chemical Information

Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl ester

CAS Number	21702-79-4
PubChem CID	624217
IUPAC Name	methyl 3,5-dibromo-2-hydroxybenzoate
Molecular Formula	C8H6Br2O3
Molecular Weight	309.94
XLogP	3.4
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	198

SMILES

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

InChI

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

InChIKey

KISQISIKTRRMOX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21702-79-4

CID: 624217

Formula: C8H6Br2O3

MW: 309.94

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.94
XLogP3	3.4
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	198
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
FM70987-01	Methyl 3,5-dibromo-4-hydroxybenzoate
KCA63881-01	Methyl 5- (chlorosulfonyl) -2-hydroxybenzoate
SCA97380	Methyl 3-amino-5-hydroxybenzoate
FM70315-01	Methyl 3,5-dibromo-2-methoxybenzoate
LEC96360-01	Methyl 2-formyl-5-hydroxybenzoate
MMB07964-01	Methyl 2- (dimethylamino) -5-hydroxybenzoate
RBA48976	Methyl 5-Formyl-2-hydroxybenzoate
FM138034-01	Methyl 3-bromo-5-hydroxybenzoate
LEA21718-01	Methyl 2,3,5-trichloro-6-hydroxybenzoate
FM25415-01	Methyl 3-hydroxybenzoate

Catalog	Name
sc-263594	Methyl 3,5-dibromo-2-hydroxybenzoate
OR7292-01	Methyl 3,5-dibromo-4-hydroxybenzoate
sc-301059	Methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate
OR11563	Methyl 4-chloro-3,5-dibromo-2-hydroxybenzoate
M15705	Methyl-3 5-Dibromo-4-Hydroxybenzoate 97%
PC1016779-01	Methyl 2,4-dibromo-6-fluoro-3-hydroxybenzoate
OR14438-01	Methyl 3,5-dinitro-2-hydroxybenzoate
AL BF 1422-01	Methyl 3,5-difluoro-2-hydroxybenzoate
OR52077-01	Methyl 3,5-dichloro-2-hydroxybenzoate
283172-01	Methyl 2-amino-5-hydroxybenzoate