3-Bromo-6-nitro-1H-indole - CAS 126807-09-8
Catalog: |
BB054137 |
Product Name: |
3-Bromo-6-nitro-1H-indole |
CAS: |
126807-09-8 |
Synonyms: |
1H-Indole, 3-bromo-6-nitro- |
IUPAC Name: | 3-bromo-6-nitro-1H-indole |
Molecular Weight: | 241.04 |
Molecular Formula: | C8H5BrN2O2 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])NC=C2Br |
InChI: | InChI=1S/C8H5BrN2O2/c9-7-4-10-8-3-5(11(12)13)1-2-6(7)8/h1-4,10H |
InChI Key: | CUHNSXKCMBQLRL-UHFFFAOYSA-N |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.95344 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.95344 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 61.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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