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2007919-15-3 | 1H-Indole, 5-chloro-2,3-dihydro-6-nitro-
CAS No: 2007919-15-3 Catalog No: AG002CZQ MDL No:
Product Description
Catalog Number:
AG002CZQ
Chemical Name:
1H-Indole, 5-chloro-2,3-dihydro-6-nitro-
CAS Number:
2007919-15-3
Molecular Formula:
C8H7ClN2O2
Molecular Weight:
198.6064
IUPAC Name:
5-chloro-6-nitro-2,3-dihydro-1H-indole
InChI:
InChI=1S/C8H7ClN2O2/c9-6-3-5-1-2-10-7(5)4-8(6)11(12)13/h3-4,10H,1-2H2
InChI Key:
SOMADCPMWAGDKT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2NCCc2cc1Cl
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.606g/mol
Monoisotopic Mass:
198.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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