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[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino acetate

[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino acetate

CAS: 1951439-71-6

Formula: C10H7F3N2O2S

SMILES: CC(=O)ONC1=NC2=CC=C(C=C2S1)C(F)(F)F

IUPAC: [6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino acetate

InChI: InChI=1S/C10H7F3N2O2S/c1-5(16)17-15-9-14-7-3-2-6(10(11,12)13)4-8(7)18-9/h2-4H,1H3,(H,14,15)

Composition: C (43.48%), H (2.55%), F (20.63%), N (10.14%), O (11.58%), S (11.61%)

Molar Mass: 276.23

Atom Count: 25

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 276.018033136
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KAEMWPXCSFTRIG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.71
Topological Polar Surface Area 51.22
Polarizability 22.49
Ring Count 2
Rotatable Bond Count 4

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