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Home > Nitro Compounds > 18378-22-8
18378-22-8 | 2,1,3-Benzoxadiazole, 4-nitro-7-(1-piperidinyl)-
CAS No: 18378-22-8 Catalog No: AG00I1FH MDL No:MFCD00576861
Product Description
Catalog Number:
AG00I1FH
Chemical Name:
2,1,3-Benzoxadiazole, 4-nitro-7-(1-piperidinyl)-
CAS Number:
18378-22-8
Molecular Formula:
C11H12N4O3
Molecular Weight:
248.2380
MDL Number:
MFCD00576861
IUPAC Name:
4-nitro-7-piperidin-1-yl-2,1,3-benzoxadiazole
InChI:
InChI=1S/C11H12N4O3/c16-15(17)9-5-4-8(10-11(9)13-18-12-10)14-6-2-1-3-7-14/h4-5H,1-3,6-7H2
InChI Key:
KQERZOAUQVHYLM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1non2)N1CCCCC1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.242g/mol
Monoisotopic Mass:
248.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| 4-Amino derivatives of 7-nitro-2,1,3-benzoxadiazole: the effect of the amino moiety on the structure of fluorophores. | Acta crystallographica. Section C, Crystal structure communications 20020301 |
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