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300398-03-2 | 1-(1H-1,2,3-Benzotriazol-1-ylmethyl)-1,2-dihydropyridin-2-one
CAS No: 300398-03-2 Catalog No: AG01EUQC MDL No:
Product Description
Catalog Number:
AG01EUQC
Chemical Name:
1-(1H-1,2,3-Benzotriazol-1-ylmethyl)-1,2-dihydropyridin-2-one
CAS Number:
300398-03-2
Molecular Formula:
C12H10N4O
Molecular Weight:
226.2340
IUPAC Name:
1-(benzotriazol-1-ylmethyl)pyridin-2-one
InChI:
InChI=1S/C12H10N4O/c17-12-7-3-4-8-15(12)9-16-11-6-2-1-5-10(11)13-14-16/h1-8H,9H2
InChI Key:
IRMISFCODPRPSB-UHFFFAOYSA-N
SMILES:
O=c1ccccn1Cn1nnc2c1cccc2
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.239g/mol
Monoisotopic Mass:
226.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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