200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 116070-38-3
116070-38-3 | Benzenemethanol, 3-methyl-5-(trifluoromethyl)-
CAS No: 116070-38-3 Catalog No: AG000BKF MDL No:MFCD01631605
Product Description
Catalog Number:
AG000BKF
Chemical Name:
Benzenemethanol, 3-methyl-5-(trifluoromethyl)-
CAS Number:
116070-38-3
Molecular Formula:
C9H9F3O
Molecular Weight:
190.1624
MDL Number:
MFCD01631605
IUPAC Name:
[3-methyl-5-(trifluoromethyl)phenyl]methanol
InChI:
InChI=1S/C9H9F3O/c1-6-2-7(5-13)4-8(3-6)9(10,11)12/h2-4,13H,5H2,1H3
InChI Key:
ZGZONWVUWCPMJZ-UHFFFAOYSA-N
SMILES:
OCc1cc(C)cc(c1)C(F)(F)F
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.165g/mol
Monoisotopic Mass:
190.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.