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Home > Nitro Compounds > 1092345-76-0
1092345-76-0 | 2-(2-methyl-3-nitrophenyl)-1,3,4-oxadiazole
CAS No: 1092345-76-0 Catalog No: AG00IZER MDL No:MFCD11501801
Product Description
Catalog Number:
AG00IZER
Chemical Name:
2-(2-methyl-3-nitrophenyl)-1,3,4-oxadiazole
CAS Number:
1092345-76-0
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
MDL Number:
MFCD11501801
IUPAC Name:
2-(2-methyl-3-nitrophenyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C9H7N3O3/c1-6-7(9-11-10-5-15-9)3-2-4-8(6)12(13)14/h2-5H,1H3
InChI Key:
ZWFREHLVKAPOJL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1C)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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