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17993-55-4 | 2-nitro-5H,6H,7H,8H,9H,10H-cyclohepta[b]indole
CAS No: 17993-55-4 Catalog No: AG019LLM MDL No:MFCD09971542
Product Description
Catalog Number:
AG019LLM
Chemical Name:
2-nitro-5H,6H,7H,8H,9H,10H-cyclohepta[b]indole
CAS Number:
17993-55-4
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD09971542
IUPAC Name:
2-nitro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
InChI:
InChI=1S/C13H14N2O2/c16-15(17)9-6-7-13-11(8-9)10-4-2-1-3-5-12(10)14-13/h6-8,14H,1-5H2
InChI Key:
ZXUIDRXMXLBYIE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c1CCCCCc1[nH]2
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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