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Home > Nitro Compounds > 88407-66-3
88407-66-3 | Oxazole, 2-methyl-4,5-bis(4-nitrophenyl)-
CAS No: 88407-66-3 Catalog No: AG004F3A MDL No:
Product Description
Catalog Number:
AG004F3A
Chemical Name:
Oxazole, 2-methyl-4,5-bis(4-nitrophenyl)-
CAS Number:
88407-66-3
Molecular Formula:
C16H11N3O5
Molecular Weight:
325.2756
IUPAC Name:
2-methyl-4,5-bis(4-nitrophenyl)-1,3-oxazole
InChI:
InChI=1S/C16H11N3O5/c1-10-17-15(11-2-6-13(7-3-11)18(20)21)16(24-10)12-4-8-14(9-5-12)19(22)23/h2-9H,1H3
InChI Key:
QRCKKKSXAWAKBS-UHFFFAOYSA-N
SMILES:
Cc1nc(c(o1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.07g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.28g/mol
Monoisotopic Mass:
325.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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