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Home > Bromides > 1823869-30-2
1823869-30-2 | 5-Thiazolecarbonitrile, 2-bromo-4-(trifluoromethyl)-
CAS No: 1823869-30-2 Catalog No: AG0023R0 MDL No:
Product Description
Catalog Number:
AG0023R0
Chemical Name:
5-Thiazolecarbonitrile, 2-bromo-4-(trifluoromethyl)-
CAS Number:
1823869-30-2
Molecular Formula:
C5BrF3N2S
Molecular Weight:
257.0311
IUPAC Name:
2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
InChI:
InChI=1S/C5BrF3N2S/c6-4-11-3(5(7,8)9)2(1-10)12-4
InChI Key:
QKAAVZGKXHVSRD-UHFFFAOYSA-N
SMILES:
N#Cc1sc(nc1C(F)(F)F)Br
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.892g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.028g/mol
Monoisotopic Mass:
255.892g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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