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Home > Nitro Compounds > 16213-27-7

16213-27-7

16213-27-7 | 1H-Pyrrole-2,5-dione, 1-cyclohexyl-3-(2-methoxy-4-nitrophenyl)-

CAS No: 16213-27-7 Catalog No: AG001SSK MDL No:

Product Description

Catalog Number:
AG001SSK
Chemical Name:
1H-Pyrrole-2,5-dione, 1-cyclohexyl-3-(2-methoxy-4-nitrophenyl)-
CAS Number:
16213-27-7
Molecular Formula:
C17H18N2O5
Molecular Weight:
330.3352
IUPAC Name:
1-cyclohexyl-3-(2-methoxy-4-nitrophenyl)pyrrole-2,5-dione
InChI:
InChI=1S/C17H18N2O5/c1-24-15-9-12(19(22)23)7-8-13(15)14-10-16(20)18(17(14)21)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3
InChI Key:
DQMZPPADQURVDJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C1=CC(=O)N(C1=O)C1CCCCC1)[N+](=O)[O-]
NSC Number:
100375

Properties

Complexity:
562  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.122g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.34g/mol
Monoisotopic Mass:
330.122g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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