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Home > Indoles and Oxindole > 682757-52-4
682757-52-4 | 2-methyl-4-nitro-2,3-dihydro-1H-isoindol-1-one
CAS No: 682757-52-4 Catalog No: AG01DRNY MDL No:MFCD29922471
Product Description
Catalog Number:
AG01DRNY
Chemical Name:
2-methyl-4-nitro-2,3-dihydro-1H-isoindol-1-one
CAS Number:
682757-52-4
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD29922471
IUPAC Name:
2-methyl-4-nitro-3H-isoindol-1-one
InChI:
InChI=1S/C9H8N2O3/c1-10-5-7-6(9(10)12)3-2-4-8(7)11(13)14/h2-4H,5H2,1H3
InChI Key:
HSUTVNSMXVHPMO-UHFFFAOYSA-N
SMILES:
O=C1N(C)Cc2c1cccc2[N+](=O)[O-]
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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