Home Halogens 3,4-Dichlorobenzyl alcohol

3,4-Dichlorobenzyl alcohol

CAS No.:
1805-32-9
Catalog Number:
AG002216
Molecular Formula:
C7H6Cl2O
Molecular Weight:
177.0279
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$38
- +
100g
98%
In Stock USA
United States
$138
- +
500g
98%
In Stock USA
United States
$625
- +
Product Description
Catalog Number:
AG002216
Chemical Name:
3,4-Dichlorobenzyl alcohol
CAS Number:
1805-32-9
Molecular Formula:
C7H6Cl2O
Molecular Weight:
177.0279
MDL Number:
MFCD00004633
IUPAC Name:
(3,4-dichlorophenyl)methanol
InChI:
InChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
InChI Key:
FVJIUQSKXOYFKG-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)Cl)Cl
EC Number:
217-299-0
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.98g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.024g/mol
Monoisotopic Mass:
175.98g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
FT-Raman and FT-IR spectra, ab initio and density functional studies of 3,4-dichlorobenzyl alcohol. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20061101
Properties