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Home > Indoles and Oxindole > 1266336-35-9
1266336-35-9 | 2-CYCLOPROPYL-5-NITROISOINDOLIN-1-ONE
CAS No: 1266336-35-9 Catalog No: AG01DRNB MDL No:MFCD26403563
Product Description
Catalog Number:
AG01DRNB
Chemical Name:
2-CYCLOPROPYL-5-NITROISOINDOLIN-1-ONE
CAS Number:
1266336-35-9
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD26403563
IUPAC Name:
2-cyclopropyl-5-nitro-3H-isoindol-1-one
InChI:
InChI=1S/C11H10N2O3/c14-11-10-4-3-9(13(15)16)5-7(10)6-12(11)8-1-2-8/h3-5,8H,1-2,6H2
InChI Key:
CFXNXBCTOJCMTJ-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2c1ccc(c2)[N+](=O)[O-])C1CC1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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