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Home > Nitro Compounds > 10004-42-9
10004-42-9 | Oxazole, 4-(4-nitrophenyl)-2-phenyl-
CAS No: 10004-42-9 Catalog No: AG0000N7 MDL No:
Product Description
Catalog Number:
AG0000N7
Chemical Name:
Oxazole, 4-(4-nitrophenyl)-2-phenyl-
CAS Number:
10004-42-9
Molecular Formula:
C15H10N2O3
Molecular Weight:
266.2515
IUPAC Name:
4-(4-nitrophenyl)-2-phenyl-1,3-oxazole
InChI:
InChI=1S/C15H10N2O3/c18-17(19)13-8-6-11(7-9-13)14-10-20-15(16-14)12-4-2-1-3-5-12/h1-10H
InChI Key:
OAPKOHYAIHCLSG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1coc(n1)c1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.256g/mol
Monoisotopic Mass:
266.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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