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Home Halogens 4-Hydroxymethylbenzotrifluoride

4-Hydroxymethylbenzotrifluoride

CAS No.:
349-95-1
Catalog Number:
AG00381J
Molecular Formula:
C8H7F3O
Molecular Weight:
176.1358
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$12
- +
10g
95%
In Stock USA
United States
$17
- +
25g
98%
In Stock USA
United States
$32
- +
100g
98%
In Stock USA
United States
$94
- +
500g
98%
In Stock USA
United States
$325
- +
Product Description
Catalog Number:
AG00381J
Chemical Name:
4-Hydroxymethylbenzotrifluoride
CAS Number:
349-95-1
Molecular Formula:
C8H7F3O
Molecular Weight:
176.1358
MDL Number:
MFCD00004661
IUPAC Name:
[4-(trifluoromethyl)phenyl]methanol
InChI:
InChI=1S/C8H7F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4,12H,5H2
InChI Key:
MOOUWXDQAUXZRG-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)C(F)(F)F
EC Number:
206-494-6
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.045g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.138g/mol
Monoisotopic Mass:
176.045g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Detection and spectral analysis of trifluoromethyl groups at a surface by sum frequency generation vibrational spectroscopy. The journal of physical chemistry. B 20061228
Prochiral selectivity in H(2)O(2)-promoted oxidation of arylalkanols catalysed by chloroperoxidase. The role of the interactions between the OH group and the amino-acid residues in the enzyme active site. European journal of biochemistry 20010201
Properties