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189343-47-3 | 2-(1H-1,2,3-Benzotriazol-1-yl)-1-(4-methylphenyl)ethan-1-one
CAS No: 189343-47-3 Catalog No: AG01F6R5 MDL No:
Product Description
Catalog Number:
AG01F6R5
Chemical Name:
2-(1H-1,2,3-Benzotriazol-1-yl)-1-(4-methylphenyl)ethan-1-one
CAS Number:
189343-47-3
Molecular Formula:
C15H13N3O
Molecular Weight:
251.2832
IUPAC Name:
2-(benzotriazol-1-yl)-1-(4-methylphenyl)ethanone
InChI:
InChI=1S/C15H13N3O/c1-11-6-8-12(9-7-11)15(19)10-18-14-5-3-2-4-13(14)16-17-18/h2-9H,10H2,1H3
InChI Key:
ZMDHDDQTCHDYQS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)Cn1nnc2c1cccc2
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.289g/mol
Monoisotopic Mass:
251.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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