Home Halogens 3-Chloro-2,2-bis(chloromethyl)propan-1-ol

3-Chloro-2,2-bis(chloromethyl)propan-1-ol

CAS No.:
813-99-0
Catalog Number:
AG0052PH
Molecular Formula:
C5H9Cl3O
Molecular Weight:
191.4834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$75
- +
25g
95%
In Stock USA
United States
$225
- +
100g
95%
In Stock USA
United States
$563
- +
500g
95%
In Stock USA
United States
$1975
- +
Product Description
Catalog Number:
AG0052PH
Chemical Name:
3-Chloro-2,2-bis(chloromethyl)propan-1-ol
CAS Number:
813-99-0
Molecular Formula:
C5H9Cl3O
Molecular Weight:
191.4834
MDL Number:
MFCD00087386
IUPAC Name:
3-chloro-2,2-bis(chloromethyl)propan-1-ol
InChI:
InChI=1S/C5H9Cl3O/c6-1-5(2-7,3-8)4-9/h9H,1-4H2
InChI Key:
VRWHPVMGJTYPLS-UHFFFAOYSA-N
SMILES:
OCC(CCl)(CCl)CCl
Properties
Complexity:
64.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.972g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.476g/mol
Monoisotopic Mass:
189.972g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties