| CAS Number | 172078-39-6 |
| Catalog Number | AG00HZKC(AGN-PC-022SRJ) |
| Chemical Name | 1H-Indole, 6-chloro-5-nitro- |
| IUPAC Name | 6-chloro-5-nitro-1H-indole |
| InChI | InChI=1S/C8H5ClN2O2/c9-6-4-7-5(1-2-10-7)3-8(6)11(12)13/h1-4,10H |
| InChI Key | WZVBKWHXWRBUHL-UHFFFAOYSA-N |
| MDL Number | MFCD28659862 |
| Molecular Formula | C8H5ClN2O2 |
| Molecular Weight | 196.5905 |
| SMILES | ClC1=CC2=C(C=CN2)C=C1N(=O)=O |
| Synonyms | 6-chloro-5-nitro-1H-indole,
172078-39-6,
1H-Indole, 6-chloro-5-nitro-,
6-chloro-5-nitroindole,
6-Chloro-5-nitro-indole,
6?chloro?5?nitro?1H?indole,
SCHEMBL8647929,
WZVBKWHXWRBUHL-UHFFFAOYSA-N,
MFCD28659862,
AKOS027338421,
ZINC142035535,
KS-000005C7,
AS-52635,
CS-0050217,
6chloro5nitro1Hindole,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.59g/mol |
| Monoisotopic Mass | 196.004g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number