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305860-56-4 | 3-[1H-1,2,3-Benzotriazol-1-yl(pyridin-2-yl)methyl]-1,3-oxazolidin-2-one
CAS No: 305860-56-4 Catalog No: AG01EUTD MDL No:
Product Description
Catalog Number:
AG01EUTD
Chemical Name:
3-[1H-1,2,3-Benzotriazol-1-yl(pyridin-2-yl)methyl]-1,3-oxazolidin-2-one
CAS Number:
305860-56-4
Molecular Formula:
C15H13N5O2
Molecular Weight:
295.2960
IUPAC Name:
3-[benzotriazol-1-yl(pyridin-2-yl)methyl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C15H13N5O2/c21-15-19(9-10-22-15)14(12-6-3-4-8-16-12)20-13-7-2-1-5-11(13)17-18-20/h1-8,14H,9-10H2
InChI Key:
OPXXZUWWTVGDFV-UHFFFAOYSA-N
SMILES:
O=C1OCCN1C(n1nnc2c1cccc2)c1ccccn1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.107g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.302g/mol
Monoisotopic Mass:
295.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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