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Home > Indoles and Oxindole > 807343-26-6
807343-26-6 | 6-NITRO-2-PROPYLISOINDOLIN-1-ONE
CAS No: 807343-26-6 Catalog No: AG01DRNS MDL No:MFCD20228239
Product Description
Catalog Number:
AG01DRNS
Chemical Name:
6-NITRO-2-PROPYLISOINDOLIN-1-ONE
CAS Number:
807343-26-6
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD20228239
IUPAC Name:
6-nitro-2-propyl-3H-isoindol-1-one
InChI:
InChI=1S/C11H12N2O3/c1-2-5-12-7-8-3-4-9(13(15)16)6-10(8)11(12)14/h3-4,6H,2,5,7H2,1H3
InChI Key:
MAVFWJKLIZPTRC-UHFFFAOYSA-N
SMILES:
CCCN1Cc2c(C1=O)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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