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Home > Indoles and Oxindole > 4079-31-6
4079-31-6 | 2-nitro-6,11-dihydrothiochromeno[4,3-b]indole
CAS No: 4079-31-6 Catalog No: AG00758E MDL No:
Product Description
Catalog Number:
AG00758E
Chemical Name:
2-nitro-6,11-dihydrothiochromeno[4,3-b]indole
CAS Number:
4079-31-6
Molecular Formula:
C15H10N2O2S
Molecular Weight:
282.3171
IUPAC Name:
2-nitro-6,11-dihydrothiochromeno[4,3-b]indole
InChI:
InChI=1S/C15H10N2O2S/c18-17(19)9-5-6-14-11(7-9)15-12(8-20-14)10-3-1-2-4-13(10)16-15/h1-7,16H,8H2
InChI Key:
BYUSUYRSVRXCAB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c1[nH]c3c(c1CS2)cccc3
NSC Number:
150752
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.046g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.317g/mol
Monoisotopic Mass:
282.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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