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1314977-20-2 | 5-Thiazolemethanol, 2-amino-4-(trifluoromethyl)-
CAS No: 1314977-20-2 Catalog No: AG000WB1 MDL No:MFCD09250889
Product Description
Catalog Number:
AG000WB1
Chemical Name:
5-Thiazolemethanol, 2-amino-4-(trifluoromethyl)-
CAS Number:
1314977-20-2
Molecular Formula:
C5H5F3N2OS
Molecular Weight:
198.1662
MDL Number:
MFCD09250889
IUPAC Name:
[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
InChI:
InChI=1S/C5H5F3N2OS/c6-5(7,8)3-2(1-11)12-4(9)10-3/h11H,1H2,(H2,9,10)
InChI Key:
YCFRUGDBRCSGCS-UHFFFAOYSA-N
SMILES:
OCc1sc(nc1C(F)(F)F)N
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.007g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.163g/mol
Monoisotopic Mass:
198.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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