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147293-17-2 | 6-Isoquinolinamine, N-methyl-5-nitro-
CAS No: 147293-17-2 Catalog No: AG001ERI MDL No:
Product Description
Catalog Number:
AG001ERI
Chemical Name:
6-Isoquinolinamine, N-methyl-5-nitro-
CAS Number:
147293-17-2
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
IUPAC Name:
N-methyl-5-nitroisoquinolin-6-amine
InChI:
InChI=1S/C10H9N3O2/c1-11-9-3-2-7-6-12-5-4-8(7)10(9)13(14)15/h2-6,11H,1H3
InChI Key:
YGWXJTKVNSPTHL-UHFFFAOYSA-N
SMILES:
CNc1ccc2c(c1[N+](=O)[O-])ccnc2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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