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162651-07-2 | 5-Thiazolecarboxylic acid, 2-bromo-4-(trifluoromethyl)-
CAS No: 162651-07-2 Catalog No: AG001TB0 MDL No:MFCD09264552
Product Description
Catalog Number:
AG001TB0
Chemical Name:
5-Thiazolecarboxylic acid, 2-bromo-4-(trifluoromethyl)-
CAS Number:
162651-07-2
Molecular Formula:
C5HBrF3NO2S
Molecular Weight:
276.0311
MDL Number:
MFCD09264552
IUPAC Name:
2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C5HBrF3NO2S/c6-4-10-2(5(7,8)9)1(13-4)3(11)12/h(H,11,12)
InChI Key:
KDDAZSADIUMSBH-UHFFFAOYSA-N
SMILES:
Brc1sc(c(n1)C(F)(F)F)C(=O)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.886g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.027g/mol
Monoisotopic Mass:
274.886g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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