Home Halogens 4,4,4-Trichlorobutyric acid

4,4,4-Trichlorobutyric acid

CAS No.:
2345-32-6
Catalog Number:
AG002NA5
Molecular Formula:
C4H5Cl3O2
Molecular Weight:
191.4403
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$209
- +
5g
1 week
United States
$849
- +
10g
1 week
United States
$1417
- +
25g
1 week
United States
$2623
- +
Product Description
Catalog Number:
AG002NA5
Chemical Name:
4,4,4-Trichlorobutyric acid
CAS Number:
2345-32-6
Molecular Formula:
C4H5Cl3O2
Molecular Weight:
191.4403
MDL Number:
MFCD00100736
IUPAC Name:
4,4,4-trichlorobutanoic acid
InChI:
InChI=1S/C4H5Cl3O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9)
InChI Key:
KXPULUVMTDIQOQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(Cl)(Cl)Cl
EC Number:
219-065-3
Properties
Complexity:
107  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.936g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.432g/mol
Monoisotopic Mass:
189.936g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties