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Home > Indoles and Oxindole > 1256961-20-2
1256961-20-2 | 2-ETHYL-6-NITRO-2,3-DIHYDRO-1H-ISOINDOL-1-ONE
CAS No: 1256961-20-2 Catalog No: AG01DRNQ MDL No:MFCD20229522
Product Description
Catalog Number:
AG01DRNQ
Chemical Name:
2-ETHYL-6-NITRO-2,3-DIHYDRO-1H-ISOINDOL-1-ONE
CAS Number:
1256961-20-2
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD20229522
IUPAC Name:
2-ethyl-6-nitro-3H-isoindol-1-one
InChI:
InChI=1S/C10H10N2O3/c1-2-11-6-7-3-4-8(12(14)15)5-9(7)10(11)13/h3-5H,2,6H2,1H3
InChI Key:
YJHNHLGDYGDGBK-UHFFFAOYSA-N
SMILES:
CCN1Cc2c(C1=O)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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