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Home > Nitro Compounds > 88499-53-0
88499-53-0 | 1,3,4-Oxadiazole, 2-methyl-5-[(2-nitrophenyl)methyl]-
CAS No: 88499-53-0 Catalog No: AG00498T MDL No:
Product Description
Catalog Number:
AG00498T
Chemical Name:
1,3,4-Oxadiazole, 2-methyl-5-[(2-nitrophenyl)methyl]-
CAS Number:
88499-53-0
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
IUPAC Name:
2-methyl-5-[(2-nitrophenyl)methyl]-1,3,4-oxadiazole
InChI:
InChI=1S/C10H9N3O3/c1-7-11-12-10(16-7)6-8-4-2-3-5-9(8)13(14)15/h2-5H,6H2,1H3
InChI Key:
NNUNFMQXDVDTOF-UHFFFAOYSA-N
SMILES:
Cc1nnc(o1)Cc1ccccc1[N+](=O)[O-]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.2g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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