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1251549-68-4 | N1,N1-Dimethyl-N2-(6-(trifluoromethoxy)benzo[d]thiazol-2-yl)ethane-1,2-diamine
CAS No: 1251549-68-4 Catalog No: AG01FMZQ MDL No:MFCD22587571
Product Description
Catalog Number:
AG01FMZQ
Chemical Name:
N1,N1-Dimethyl-N2-(6-(trifluoromethoxy)benzo[d]thiazol-2-yl)ethane-1,2-diamine
CAS Number:
1251549-68-4
Molecular Formula:
C12H14F3N3OS
Molecular Weight:
305.3193
MDL Number:
MFCD22587571
IUPAC Name:
N',N'-dimethyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]ethane-1,2-diamine
InChI:
InChI=1S/C12H14F3N3OS/c1-18(2)6-5-16-11-17-9-4-3-8(7-10(9)20-11)19-12(13,14)15/h3-4,7H,5-6H2,1-2H3,(H,16,17)
InChI Key:
SBOQADOKVTVSGX-UHFFFAOYSA-N
SMILES:
CN(CCNc1nc2c(s1)cc(cc2)OC(F)(F)F)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.081g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.319g/mol
Monoisotopic Mass:
305.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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