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1221188-44-8

1221188-44-8 | 2-Thiazolecarbonitrile, 4-(trifluoromethyl)-

CAS No: 1221188-44-8 Catalog No: AG0016SK MDL No:MFCD22988157

Product Description

Catalog Number:
AG0016SK
Chemical Name:
2-Thiazolecarbonitrile, 4-(trifluoromethyl)-
CAS Number:
1221188-44-8
Molecular Formula:
C5HF3N2S
Molecular Weight:
178.1350
MDL Number:
MFCD22988157
IUPAC Name:
4-(trifluoromethyl)-1,3-thiazole-2-carbonitrile
InChI:
InChI=1S/C5HF3N2S/c6-5(7,8)3-2-11-4(1-9)10-3/h2H
InChI Key:
CYPNQOIUZAMYBW-UHFFFAOYSA-N
SMILES:
N#Cc1scc(n1)C(F)(F)F

Properties

Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.981g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.132g/mol
Monoisotopic Mass:
177.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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