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168698-04-2 | 1-[(Dimethyl-1,3-thiazol-2-yl)methyl]-1H-1,2,3-benzotriazole
CAS No: 168698-04-2 Catalog No: AG01EUB8 MDL No:
Product Description
Catalog Number:
AG01EUB8
Chemical Name:
1-[(Dimethyl-1,3-thiazol-2-yl)methyl]-1H-1,2,3-benzotriazole
CAS Number:
168698-04-2
Molecular Formula:
C12H12N4S
Molecular Weight:
244.3155
IUPAC Name:
2-(benzotriazol-1-ylmethyl)-4,5-dimethyl-1,3-thiazole
InChI:
InChI=1S/C12H12N4S/c1-8-9(2)17-12(13-8)7-16-11-6-4-3-5-10(11)14-15-16/h3-6H,7H2,1-2H3
InChI Key:
LLDGRZBOQNKGDE-UHFFFAOYSA-N
SMILES:
Cc1sc(nc1C)Cn1nnc2c1cccc2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.316g/mol
Monoisotopic Mass:
244.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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