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Home Other Building Blocks 4-Bromocatechol

4-Bromocatechol

CAS No.:
17345-77-6
Catalog Number:
AG001YXO
Molecular Formula:
C6H5BrO2
Molecular Weight:
189.0067
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$32
- +
5g
97%
In Stock USA
United States
$94
- +
10g
97%
In Stock USA
United States
$163
- +
25g
97%
In Stock USA
United States
$325
- +
100g
97%
In Stock USA
United States
$975
- +
Product Description
Catalog Number:
AG001YXO
Chemical Name:
4-Bromocatechol
CAS Number:
17345-77-6
Molecular Formula:
C6H5BrO2
Molecular Weight:
189.0067
MDL Number:
MFCD00869769
IUPAC Name:
4-bromobenzene-1,2-diol
InChI:
InChI=1S/C6H5BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
InChI Key:
AQVKHRQMAUJBBP-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)O)O
EC Number:
241-370-5
Properties
Complexity:
97.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.947g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.008g/mol
Monoisotopic Mass:
187.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Enzymatic synthesis of polybrominated dioxins from the marine environment. ACS chemical biology 20140919
Rapid halogen substitution and dibenzodioxin formation during tyrosinase-catalyzed oxidation of 4-halocatechols. Chemical research in toxicology 20110321
Properties