Home Nitros 2-Chloro-N-(2-methylpropyl)-3-nitro-4-quinolinamine

2-Chloro-N-(2-methylpropyl)-3-nitro-4-quinolinamine

CAS No.:
133860-75-0
Catalog Number:
AG003AGG
Molecular Formula:
C13H14ClN3O2
Molecular Weight:
279.7222
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Product Description
Catalog Number:
AG003AGG
Chemical Name:
2-Chloro-N-(2-methylpropyl)-3-nitro-4-quinolinamine
CAS Number:
133860-75-0
Molecular Formula:
C13H14ClN3O2
Molecular Weight:
279.7222
MDL Number:
MFCD09030724
IUPAC Name:
2-chloro-N-(2-methylpropyl)-3-nitroquinolin-4-amine
InChI:
InChI=1S/C13H14ClN3O2/c1-8(2)7-15-11-9-5-3-4-6-10(9)16-13(14)12(11)17(18)19/h3-6,8H,7H2,1-2H3,(H,15,16)
InChI Key:
DVWFDUDOJMSGAP-UHFFFAOYSA-N
SMILES:
CC(CNc1c([N+](=O)[O-])c(Cl)nc2c1cccc2)C
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.077g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
279.724g/mol
Monoisotopic Mass:
279.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties