| CAS Number | 74960-46-6 |
| Catalog Number | AG00GFZP(AGN-PC-0H0HAE) |
| Chemical Name | 3-Chloro-1H-indole-2-carbonitrile |
| IUPAC Name | 3-chloro-1H-indole-2-carbonitrile |
| InChI | InChI=1S/C9H5ClN2/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4,12H |
| InChI Key | ZJPXWLZSUROYHX-UHFFFAOYSA-N |
| MDL Number | MFCD22126114 |
| Molecular Formula | C9H5ClN2 |
| Molecular Weight | 176.6024 |
| SMILES | ClC1(=C(NC2(=C1C=CC=C2))C#N) |
| Synonyms | 3-chloro-1H-indole-2-carbonitrile,
74960-46-6,
1H-Indole-2-carbonitrile, 3-chloro-,
SCHEMBL2731190,
DTXSID10735159,
ZJPXWLZSUROYHX-UHFFFAOYSA-N,
KS-000023TA,
9166AE,
MFCD22126114,
ZINC72190688,
AKOS015991331,
CG-0720,
FCH1781125,
MCULE-8367968190,
AK151772,
AJ-119380,
AX8288330,
FT-0686328,
C9H5ClN2,
|
| 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 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H302-H312-H332
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Packing Group
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Precautionary statements
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P280
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UN Code
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Certificate of Analysis
Lot Number