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Home > Indoles and Oxindole > 95545-02-1
95545-02-1 | 1-acetyl-2-methyl-5-nitroindoline
CAS No: 95545-02-1 Catalog No: AG00JH7J MDL No:MFCD00454200
Product Description
Catalog Number:
AG00JH7J
Chemical Name:
1-acetyl-2-methyl-5-nitroindoline
CAS Number:
95545-02-1
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD00454200
IUPAC Name:
1-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)ethanone
InChI:
InChI=1S/C11H12N2O3/c1-7-5-9-6-10(13(15)16)3-4-11(9)12(7)8(2)14/h3-4,6-7H,5H2,1-2H3
InChI Key:
FNGVDDLTALTXPK-UHFFFAOYSA-N
SMILES:
CC1Cc2c(N1C(=O)C)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
313
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:
0
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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