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Home > Indoles and Oxindole > 1190380-36-9
1190380-36-9 | 2-METHYL-5-NITRO-2,3-DIHYDRO-1H-ISOINDOL-1-ONE
CAS No: 1190380-36-9 Catalog No: AG01DRNH MDL No:MFCD21362699
Product Description
Catalog Number:
AG01DRNH
Chemical Name:
2-METHYL-5-NITRO-2,3-DIHYDRO-1H-ISOINDOL-1-ONE
CAS Number:
1190380-36-9
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD21362699
IUPAC Name:
2-methyl-5-nitro-3H-isoindol-1-one
InChI:
InChI=1S/C9H8N2O3/c1-10-5-6-4-7(11(13)14)2-3-8(6)9(10)12/h2-4H,5H2,1H3
InChI Key:
JLPQOEIQJCCAQL-UHFFFAOYSA-N
SMILES:
CN1Cc2c(C1=O)ccc(c2)[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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