| CAS Number | 139194-79-9 |
| Catalog Number | AG001AHC(AGN-PC-002TXG) |
| Chemical Name | Benzenemethanol, 3-bromo-5-nitro- |
| IUPAC Name | (3-bromo-5-nitrophenyl)methanol |
| InChI | InChI=1S/C7H6BrNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-3,10H,4H2 |
| InChI Key | WIXGOPRKQQGTHO-UHFFFAOYSA-N |
| MDL Number | MFCD09056873 |
| Molecular Formula | C7H6BrNO3 |
| Molecular Weight | 232.0314 |
| SMILES | OCc1cc(Br)cc(c1)[N+](=O)[O-] |
| Synonyms | (3-bromo-5-nitrophenyl)methanol,
139194-79-9,
3-BROMO-5-NITROBENZYL ALCOHOL,
Benzenemethanol, 3-bromo-5-nitro-,
SCHEMBL600500,
CTK4C1675,
DTXSID30564822,
WIXGOPRKQQGTHO-UHFFFAOYSA-N,
(3-bromo-5-nitrophenyl) methanol,
(3-bromanyl-5-nitro-phenyl)methanol,
MFCD09056873,
ZINC71605959,
AKOS025129210,
FCH1391454,
MB07065,
OR51800,
PS-10572,
A807497,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.033g/mol |
| Monoisotopic Mass | 230.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302+H312+H332-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P363-P403+P233-P405-P501
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UN Code
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Certificate of Analysis
Lot Number