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Home > Indoles and Oxindole > 900019-24-1
900019-24-1 | 2-[2-(morpholin-4-yl)ethyl]-4-nitro-2,3-dihydro-1H-isoindol-1-one
CAS No: 900019-24-1 Catalog No: AG00IYAY MDL No:MFCD07021465
Product Description
Catalog Number:
AG00IYAY
Chemical Name:
2-[2-(morpholin-4-yl)ethyl]-4-nitro-2,3-dihydro-1H-isoindol-1-one
CAS Number:
900019-24-1
Molecular Formula:
C14H17N3O4
Molecular Weight:
291.3025
MDL Number:
MFCD07021465
IUPAC Name:
2-(2-morpholin-4-ylethyl)-4-nitro-3H-isoindol-1-one
InChI:
InChI=1S/C14H17N3O4/c18-14-11-2-1-3-13(17(19)20)12(11)10-16(14)5-4-15-6-8-21-9-7-15/h1-3H,4-10H2
InChI Key:
KSSSHFXTTGDJNM-UHFFFAOYSA-N
SMILES:
O=C1N(CCN2CCOCC2)Cc2c1cccc2[N+](=O)[O-]
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.307g/mol
Monoisotopic Mass:
291.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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