| CAS Number | 213542-01-9 |
| Catalog Number | AG007QRR(AGN-PC-056KVZ) |
| Chemical Name | 5-Chloro-3-nitro-1H-indole |
| IUPAC Name | 5-chloro-3-nitro-1H-indole |
| InChI | InChI=1S/C8H5ClN2O2/c9-5-1-2-7-6(3-5)8(4-10-7)11(12)13/h1-4,10H |
| InChI Key | COCDVZRHARWGKI-UHFFFAOYSA-N |
| MDL Number | MFCD10574688 |
| Molecular Formula | C8H5ClN2O2 |
| Molecular Weight | 196.5905 |
| SMILES | O=[N+](C1=CNC2=C1C=C(Cl)C=C2)[O-] |
| Synonyms | 5-Chloro-3-nitro-1H-indole,
213542-01-9,
5-CHLORO-3-NITROINDOLE,
5-chloro-3-nitro-indole,
1H-Indole,5-chloro-3-nitro-,
SCHEMBL15792293,
CTK4E6572,
DTXSID10649904,
COCDVZRHARWGKI-UHFFFAOYSA-N,
0858AB,
MFCD10574688,
ZINC14982430,
AKOS006304561,
AJ-65670,
DB-081356,
FT-0761622,
Z2469690433,
C8H5ClN2O2,
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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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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number