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Home > Nitro Compounds > 76629-46-4
76629-46-4 | 1,2,4-Oxadiazole, 3-methyl-5-(2-nitrophenyl)-
CAS No: 76629-46-4 Catalog No: AG00ICR3 MDL No:MFCD28369608
Product Description
Catalog Number:
AG00ICR3
Chemical Name:
1,2,4-Oxadiazole, 3-methyl-5-(2-nitrophenyl)-
CAS Number:
76629-46-4
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
MDL Number:
MFCD28369608
IUPAC Name:
3-methyl-5-(2-nitrophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C9H7N3O3/c1-6-10-9(15-11-6)7-4-2-3-5-8(7)12(13)14/h2-5H,1H3
InChI Key:
ITACPJRXFXXTED-UHFFFAOYSA-N
SMILES:
Cc1noc(n1)c1ccccc1[N+](=O)[O-]
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:
2
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