200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 892502-29-3
892502-29-3 | Benzenemethanol,2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-
CAS No: 892502-29-3 Catalog No: AG0043RI MDL No:MFCD09817511
Product Description
Catalog Number:
AG0043RI
Chemical Name:
Benzenemethanol,2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-
CAS Number:
892502-29-3
Molecular Formula:
C12H11F3N2O
Molecular Weight:
256.2237
MDL Number:
MFCD09817511
IUPAC Name:
[2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanol
InChI:
InChI=1S/C12H11F3N2O/c1-17-10(6-11(16-17)12(13,14)15)9-5-3-2-4-8(9)7-18/h2-6,18H,7H2,1H3
InChI Key:
HLMRFDCLSUXVQC-UHFFFAOYSA-N
SMILES:
OCc1ccccc1c1cc(nn1C)C(F)(F)F
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.228g/mol
Monoisotopic Mass:
256.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.