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Home > Indoles and Oxindole > 312523-56-1
312523-56-1 | 1-(methylsulfonyl)-5-nitroindoline
CAS No: 312523-56-1 Catalog No: AG00JGZ1 MDL No:MFCD01571905
Product Description
Catalog Number:
AG00JGZ1
Chemical Name:
1-(methylsulfonyl)-5-nitroindoline
CAS Number:
312523-56-1
Molecular Formula:
C9H10N2O4S
Molecular Weight:
242.2517
MDL Number:
MFCD01571905
IUPAC Name:
1-methylsulfonyl-5-nitro-2,3-dihydroindole
InChI:
InChI=1S/C9H10N2O4S/c1-16(14,15)10-5-4-7-6-8(11(12)13)2-3-9(7)10/h2-3,6H,4-5H2,1H3
InChI Key:
NRBRMCAQIDGPNX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)CCN2S(=O)(=O)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.249g/mol
Monoisotopic Mass:
242.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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