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Home > Fluorides > 1260659-13-9
1260659-13-9 | 1H-Pyrazole-3-methanol, 1-methyl-5-(trifluoromethyl)-
CAS No: 1260659-13-9 Catalog No: AG000QZW MDL No:MFCD18262424
Product Description
Catalog Number:
AG000QZW
Chemical Name:
1H-Pyrazole-3-methanol, 1-methyl-5-(trifluoromethyl)-
CAS Number:
1260659-13-9
Molecular Formula:
C6H7F3N2O
Molecular Weight:
180.1278
MDL Number:
MFCD18262424
IUPAC Name:
[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol
InChI:
InChI=1S/C6H7F3N2O/c1-11-5(6(7,8)9)2-4(3-12)10-11/h2,12H,3H2,1H3
InChI Key:
ZEZGCPZXXNCXNF-UHFFFAOYSA-N
SMILES:
OCc1nn(c(c1)C(F)(F)F)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.13g/mol
Monoisotopic Mass:
180.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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