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124041-72-1 | 2-(1H-1,2,3-Benzotriazol-1-yl)-1-(naphthalen-2-yl)ethan-1-one
CAS No: 124041-72-1 Catalog No: AG01F6DJ MDL No:MFCD00972672
Product Description
Catalog Number:
AG01F6DJ
Chemical Name:
2-(1H-1,2,3-Benzotriazol-1-yl)-1-(naphthalen-2-yl)ethan-1-one
CAS Number:
124041-72-1
Molecular Formula:
C18H13N3O
Molecular Weight:
287.3153
MDL Number:
MFCD00972672
IUPAC Name:
2-(benzotriazol-1-yl)-1-naphthalen-2-ylethanone
InChI:
InChI=1S/C18H13N3O/c22-18(12-21-17-8-4-3-7-16(17)19-20-21)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2
InChI Key:
YQNPCLJTLLWMAT-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)cccc2)Cn1nnc2c1cccc2
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.322g/mol
Monoisotopic Mass:
287.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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