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Home > Indoles and Oxindole > 115210-54-3
115210-54-3 | 1H-Indole, 2,3-dihydro-2-methyl-5-nitro-
CAS No: 115210-54-3 Catalog No: AG000GGH MDL No:MFCD00460685
Product Description
Catalog Number:
AG000GGH
Chemical Name:
1H-Indole, 2,3-dihydro-2-methyl-5-nitro-
CAS Number:
115210-54-3
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
MDL Number:
MFCD00460685
IUPAC Name:
2-methyl-5-nitro-2,3-dihydro-1H-indole
InChI:
InChI=1S/C9H10N2O2/c1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h2-3,5-6,10H,4H2,1H3
InChI Key:
JVOZJSSFSXFDAU-UHFFFAOYSA-N
SMILES:
CC1Nc2c(C1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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