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303756-88-9 | 1-[2-(Dimethyl-1,3-thiazol-2-yl)propan-2-yl]-1H-1,2,3-benzotriazole
CAS No: 303756-88-9 Catalog No: AG01EUSH MDL No:
Product Description
Catalog Number:
AG01EUSH
Chemical Name:
1-[2-(Dimethyl-1,3-thiazol-2-yl)propan-2-yl]-1H-1,2,3-benzotriazole
CAS Number:
303756-88-9
Molecular Formula:
C14H16N4S
Molecular Weight:
272.3686
IUPAC Name:
2-[2-(benzotriazol-1-yl)propan-2-yl]-4,5-dimethyl-1,3-thiazole
InChI:
InChI=1S/C14H16N4S/c1-9-10(2)19-13(15-9)14(3,4)18-12-8-6-5-7-11(12)16-17-18/h5-8H,1-4H3
InChI Key:
BJLUKMMEYXRKAN-UHFFFAOYSA-N
SMILES:
Cc1sc(nc1C)C(n1nnc2c1cccc2)(C)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.37g/mol
Monoisotopic Mass:
272.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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