| CAS Number | 82380-17-4 |
| Catalog Number | AG008KBC(AGN-PC-00KLDJ) |
| Chemical Name | Benzonitrile, 2-bromo-4-hydroxy- |
| IUPAC Name | 2-bromo-4-hydroxybenzonitrile |
| InChI | InChI=1S/C7H4BrNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H |
| InChI Key | CGPTZCZFFUYDCB-UHFFFAOYSA-N |
| MDL Number | MFCD15527339 |
| Molecular Formula | C7H4BrNO |
| Molecular Weight | 198.0168 |
| SMILES | N#CC1=CC=C(O)C=C1Br |
| Synonyms | 2-BROMO-4-HYDROXYBENZONITRILE,
82380-17-4,
Benzonitrile, 2-bromo-4-hydroxy-,
2-bromo-4-hydroxy-benzonitrile,
3-BROMO-4-CYANOPHENOL,
SCHEMBL3484514,
CTK3E0143,
DTXSID60516112,
CGPTZCZFFUYDCB-UHFFFAOYSA-N,
ZINC83282462,
AKOS022189962,
FCH1174088,
MB14756,
BBV-39766436,
SC-37426,
SY057515,
AJ-125860,
MFCD15527339 (95%),
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| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.019g/mol |
| Monoisotopic Mass | 196.948g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H312-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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UN Code
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Certificate of Analysis
Lot Number