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Home > Nitro Compounds > 1118786-96-1
1118786-96-1 | 2-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole
CAS No: 1118786-96-1 Catalog No: AG019M13 MDL No:MFCD11833085
Product Description
Catalog Number:
AG019M13
Chemical Name:
2-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole
CAS Number:
1118786-96-1
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
MDL Number:
MFCD11833085
IUPAC Name:
2-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C9H7N3O3/c1-6-4-7(9-11-10-5-15-9)2-3-8(6)12(13)14/h2-5H,1H3
InChI Key:
OAPXUWIOORWKCM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1C)c1nnco1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.173g/mol
Monoisotopic Mass:
205.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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