| CAS Number | 1423120-66-4 |
| Catalog Number | AG0034CP(AGN-PC-0WABY4) |
| Chemical Name | 6-Chloroindole-5-carbonitrile |
| IUPAC Name | 6-chloro-1H-indole-5-carbonitrile |
| InChI | InChI=1S/C9H5ClN2/c10-8-4-9-6(1-2-12-9)3-7(8)5-11/h1-4,12H |
| InChI Key | MRYYCCSCMQNXIG-UHFFFAOYSA-N |
| MDL Number | MFCD23706334 |
| Molecular Formula | C9H5ClN2 |
| Molecular Weight | 176.6024 |
| SMILES | ClC1=C(C=C2C=CNC2=C1)C#N |
| Synonyms | 6-Chloroindole-5-carbonitrile,
1423120-66-4,
6-chloro-1H-indole-5-carbonitrile,
SCHEMBL14723045,
KS-00000DII,
MRYYCCSCMQNXIG-UHFFFAOYSA-N,
6445AJ,
MFCD23706334,
ZINC95828775,
AKOS025404356,
FCH2331182,
AS-32127,
SY024602,
FT-0710572,
Z-3550,
MFCD23706334 (97+%),
C9H5ClN2,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.603g/mol |
| Monoisotopic Mass | 176.014g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 39.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number