5-Chloro-7-nitro-1H-indole - CAS 1197181-29-5
Catalog: |
BB004580 |
Product Name: |
5-Chloro-7-nitro-1H-indole |
CAS: |
1197181-29-5 |
Synonyms: |
5-chloro-7-nitro-1H-indole; 5-chloro-7-nitro-1H-indole |
IUPAC Name: | 5-chloro-7-nitro-1H-indole |
Description: | 5-Chloro-7-nitro-1H-indole (CAS# 1197181-29-5) is a useful research chemical. |
Molecular Weight: | 196.59 |
Molecular Formula: | C8H5ClN2O2 |
Canonical SMILES: | C1=CNC2=C(C=C(C=C21)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C8H5ClN2O2/c9-6-3-5-1-2-10-8(5)7(4-6)11(12)13/h1-4,10H |
InChI Key: | FNZMFDOFIZJRNY-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 3.25270 |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.0039551 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.0039551 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 61.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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