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1099929-70-0 | N-Cyclopropyl-5-nitroquinolin-8-amine
CAS No: 1099929-70-0 Catalog No: AG003SXR MDL No:MFCD11855891
Product Description
Catalog Number:
AG003SXR
Chemical Name:
N-Cyclopropyl-5-nitroquinolin-8-amine
CAS Number:
1099929-70-0
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
MDL Number:
MFCD11855891
IUPAC Name:
N-cyclopropyl-5-nitroquinolin-8-amine
InChI:
InChI=1S/C12H11N3O2/c16-15(17)11-6-5-10(14-8-3-4-8)12-9(11)2-1-7-13-12/h1-2,5-8,14H,3-4H2
InChI Key:
YVTXHPCFLJEPBL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1cccn2)NC1CC1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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