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Home > Nitro Compounds > 1797096-04-8
1797096-04-8 | 5-nitro-2-[(pyridin-4-yl)methyl]-1,2-dihydroisoquinolin-1-one
CAS No: 1797096-04-8 Catalog No: AG00IWWL MDL No:MFCD27924205
Product Description
Catalog Number:
AG00IWWL
Chemical Name:
5-nitro-2-[(pyridin-4-yl)methyl]-1,2-dihydroisoquinolin-1-one
CAS Number:
1797096-04-8
Molecular Formula:
C15H11N3O3
Molecular Weight:
281.2661
MDL Number:
MFCD27924205
IUPAC Name:
5-nitro-2-(pyridin-4-ylmethyl)isoquinolin-1-one
InChI:
InChI=1S/C15H11N3O3/c19-15-13-2-1-3-14(18(20)21)12(13)6-9-17(15)10-11-4-7-16-8-5-11/h1-9H,10H2
InChI Key:
WSYGTWGUNAOUJL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1ccn(c2=O)Cc1ccncc1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.271g/mol
Monoisotopic Mass:
281.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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