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Home > Nitro Compounds > 112606-69-6
112606-69-6 | 5-Nitro-3-(p-tolyl)benzo[d]isoxazole
CAS No: 112606-69-6 Catalog No: AG01ECZW MDL No:
Product Description
Catalog Number:
AG01ECZW
Chemical Name:
5-Nitro-3-(p-tolyl)benzo[d]isoxazole
CAS Number:
112606-69-6
IUPAC Name:
3-(4-methylphenyl)-5-nitro-1,2-benzoxazole
InChI:
InChI=1S/C14H10N2O3/c1-9-2-4-10(5-3-9)14-12-8-11(16(17)18)6-7-13(12)19-15-14/h2-8H,1H3
InChI Key:
RKWITXPBGLCKBC-UHFFFAOYSA-N
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.245g/mol
Monoisotopic Mass:
254.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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