| CAS Number | 1312008-67-5 |
| Catalog Number | AG000VPY(AGN-PC-0WD847) |
| Chemical Name | 1H-Indazole-5-carbonitrile, 6-chloro- |
| IUPAC Name | 6-chloro-1H-indazole-5-carbonitrile |
| InChI | InChI=1S/C8H4ClN3/c9-7-2-8-6(4-11-12-8)1-5(7)3-10/h1-2,4H,(H,11,12) |
| InChI Key | BEDCZLCJIAHDKS-UHFFFAOYSA-N |
| MDL Number | MFCD23705456 |
| Molecular Formula | C8H4ClN3 |
| Molecular Weight | 177.5905 |
| SMILES | ClC1=CC2=C(C=NN2)C=C1C#N |
| Synonyms | 6-chloro-1H-indazole-5-carbonitrile,
1312008-67-5,
1H-Indazole-5-carbonitrile, 6-chloro-,
SCHEMBL1981821,
BEDCZLCJIAHDKS-UHFFFAOYSA-N,
KS-000005JS,
MFCD23705456,
ZINC89197078,
1h-indazole-5-carbonitrile,6-chloro-,
AKOS030238694,
AS-53160,
CS-0050238,
FT-0704659,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.591g/mol |
| Monoisotopic Mass | 177.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
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UN Code
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Certificate of Analysis
Lot Number