| CAS Number | 1000341-36-5 |
| Catalog Number | AG0000GR(AGN-PC-0WD3OO) |
| Chemical Name | 1H-Indazole-4-carbonitrile, 3-bromo- |
| IUPAC Name | 3-bromo-2H-indazole-4-carbonitrile |
| InChI | InChI=1S/C8H4BrN3/c9-8-7-5(4-10)2-1-3-6(7)11-12-8/h1-3H,(H,11,12) |
| InChI Key | FMBYTIGGQXFBKG-UHFFFAOYSA-N |
| MDL Number | MFCD09263234 |
| Molecular Formula | C8H4BrN3 |
| Molecular Weight | 222.0415 |
| SMILES | N#CC1=CC=CC2=C1C(Br)=NN2 |
| Synonyms | 3-Bromo-1H-indazole-4-carbonitrile,
1000341-36-5,
3-bromo-2H-indazole-4-carbonitrile,
AK141077,
DTXSID30646713,
MFCD09263234,
ZINC14986022,
AKOS022172970,
1H-Indazole-4-carbonitrile, 3-bromo-,
CB-3898,
DS-7204,
FCH1392005,
AJ-66500,
AX8273309,
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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 | 220.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.045g/mol |
| Monoisotopic Mass | 220.959g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number