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20335-59-5 | Isoquinoline, 1-methyl-5-nitro-
CAS No: 20335-59-5 Catalog No: AG0028UX MDL No:
Product Description
Catalog Number:
AG0028UX
Chemical Name:
Isoquinoline, 1-methyl-5-nitro-
CAS Number:
20335-59-5
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
IUPAC Name:
1-methyl-5-nitroisoquinoline
InChI:
InChI=1S/C10H8N2O2/c1-7-8-3-2-4-10(12(13)14)9(8)5-6-11-7/h2-6H,1H3
InChI Key:
CHJMPOFXVINBAJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1ccnc2C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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