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1094619-79-0 | "5-amino-3-(trifluoromethyl)-1,2-thiazole-4-carbonitrile"
CAS No: 1094619-79-0 Catalog No: AG01FMJK MDL No:MFCD20703039
Product Description
Catalog Number:
AG01FMJK
Chemical Name:
"5-amino-3-(trifluoromethyl)-1,2-thiazole-4-carbonitrile"
CAS Number:
1094619-79-0
Molecular Formula:
C5H2F3N3S
Molecular Weight:
193.1497
MDL Number:
MFCD20703039
IUPAC Name:
5-amino-3-(trifluoromethyl)-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C5H2F3N3S/c6-5(7,8)3-2(1-9)4(10)12-11-3/h10H2
InChI Key:
AUUOMMFVIIRURD-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)snc1C(F)(F)F
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.147g/mol
Monoisotopic Mass:
192.992g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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