5-(Bromomethyl)benzene-1,3-diol - CAS 33617-40-2
Catalog: |
BB054293 |
Product Name: |
5-(Bromomethyl)benzene-1,3-diol |
CAS: |
33617-40-2 |
Synonyms: |
1,3-Benzenediol, 5-(bromomethyl)-; 5-(Bromomethyl)resorcinol; 3,5-dihydroxy-benzyl-bromide; 5-(bromomethyl)-1,3-dihydroxy-benzene; 5-(Bromomethyl)-1,3-benzenediol |
Related CAS: | 135756-78-4 (homopolymer)
|
IUPAC Name: | 5-(bromomethyl)benzene-1,3-diol |
Molecular Weight: | 203.03 |
Molecular Formula: | C7H7BrO2 |
Canonical SMILES: | C1=C(C=C(C=C1O)O)CBr |
InChI: | InChI=1S/C7H7BrO2/c8-4-5-1-6(9)3-7(10)2-5/h1-3,9-10H,4H2 |
InChI Key: | BWXAUWJMUAOSLG-UHFFFAOYSA-N |
Boiling Point: | 335.2±11.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.753±0.1 g/cm3 |
Complexity: | 97.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.96294 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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