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Home > Indoles and Oxindole > 41018-86-4
41018-86-4 | 1H-Indole, 2,3-dimethyl-7-nitro-
CAS No: 41018-86-4 Catalog No: AG00I813 MDL No:MFCD00022710
Product Description
Catalog Number:
AG00I813
Chemical Name:
1H-Indole, 2,3-dimethyl-7-nitro-
CAS Number:
41018-86-4
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD00022710
IUPAC Name:
2,3-dimethyl-7-nitro-1H-indole
InChI:
InChI=1S/C10H10N2O2/c1-6-7(2)11-10-8(6)4-3-5-9(10)12(13)14/h3-5,11H,1-2H3
InChI Key:
ONCCVOJTXZBTDY-UHFFFAOYSA-N
SMILES:
Cc1c(C)[nH]c2c1cccc2[N+](=O)[O-]
NSC Number:
88618
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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