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305860-82-6 | 5-((1H-BENZO[D][1,2,3]TRIAZOL-1-YL)METHYL)-3-(3-NITROPHENYL)ISOXAZOLE
CAS No: 305860-82-6 Catalog No: AG01DX3R MDL No:
Product Description
Catalog Number:
AG01DX3R
Chemical Name:
5-((1H-BENZO[D][1,2,3]TRIAZOL-1-YL)METHYL)-3-(3-NITROPHENYL)ISOXAZOLE
CAS Number:
305860-82-6
IUPAC Name:
5-(benzotriazol-1-ylmethyl)-3-(3-nitrophenyl)-1,2-oxazole
InChI:
InChI=1S/C16H11N5O3/c22-21(23)12-5-3-4-11(8-12)15-9-13(24-18-15)10-20-16-7-2-1-6-14(16)17-19-20/h1-9H,10H2
InChI Key:
NGKICIRAKHSFDX-UHFFFAOYSA-N
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.086g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.296g/mol
Monoisotopic Mass:
321.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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