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882747-49-1 | 4-nitro-2-[2-(pyridin-2-yl)ethyl]-2,3-dihydro-1H-isoindol-1-one
CAS No: 882747-49-1 Catalog No: AG00ITRE MDL No:MFCD08064745
Product Description
Catalog Number:
AG00ITRE
Chemical Name:
4-nitro-2-[2-(pyridin-2-yl)ethyl]-2,3-dihydro-1H-isoindol-1-one
CAS Number:
882747-49-1
Molecular Formula:
C15H13N3O3
Molecular Weight:
283.2820
MDL Number:
MFCD08064745
IUPAC Name:
4-nitro-2-(2-pyridin-2-ylethyl)-3H-isoindol-1-one
InChI:
InChI=1S/C15H13N3O3/c19-15-12-5-3-6-14(18(20)21)13(12)10-17(15)9-7-11-4-1-2-8-16-11/h1-6,8H,7,9-10H2
InChI Key:
POCDIACJYCZLQE-UHFFFAOYSA-N
SMILES:
O=C1N(CCc2ccccn2)Cc2c1cccc2[N+](=O)[O-]
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.287g/mol
Monoisotopic Mass:
283.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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