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Home > Nitro Compounds > 882079-84-7
882079-84-7 | N-(2-nitrophenyl)-2-(1,2,3,4-tetrahydroquinolin-1-yl)acetamide
CAS No: 882079-84-7 Catalog No: AG00ISWC MDL No:MFCD03414453
Product Description
Catalog Number:
AG00ISWC
Chemical Name:
N-(2-nitrophenyl)-2-(1,2,3,4-tetrahydroquinolin-1-yl)acetamide
CAS Number:
882079-84-7
Molecular Formula:
C17H17N3O3
Molecular Weight:
311.3352
MDL Number:
MFCD03414453
IUPAC Name:
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide
InChI:
InChI=1S/C17H17N3O3/c21-17(18-14-8-2-4-10-16(14)20(22)23)12-19-11-5-7-13-6-1-3-9-15(13)19/h1-4,6,8-10H,5,7,11-12H2,(H,18,21)
InChI Key:
QPBIXFJZKOVURN-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1[N+](=O)[O-])CN1CCCc2c1cccc2
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.341g/mol
Monoisotopic Mass:
311.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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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