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32692-19-6 | 5-Nitroindoline
CAS No: 32692-19-6 Catalog No: AG003MXB MDL No:MFCD00005709
Product Description
Catalog Number:
AG003MXB
Chemical Name:
5-Nitroindoline
CAS Number:
32692-19-6
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD00005709
IUPAC Name:
5-nitro-2,3-dihydro-1H-indole
InChI:
InChI=1S/C8H8N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9H,3-4H2
InChI Key:
WJQWYAJTPPYORB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)CCN2
EC Number:
251-158-4
NSC Number:
61445
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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