| CAS Number | 67175-27-3 |
| Catalog Number | AG006KLQ(AGN-PC-02LX1A) |
| Chemical Name | 3-Bromo-4-hydroxy-5-nitrobenzoic acid |
| IUPAC Name | 3-bromo-4-hydroxy-5-nitrobenzoic acid |
| InChI | InChI=1S/C7H4BrNO5/c8-4-1-3(7(11)12)2-5(6(4)10)9(13)14/h1-2,10H,(H,11,12) |
| InChI Key | MSUNRULZELFVQE-UHFFFAOYSA-N |
| MDL Number | MFCD14708201 |
| Molecular Formula | C7H4BrNO5 |
| Molecular Weight | 262.0144 |
| SMILES | OC(C1=CC([N+]([O-])=O)=C(O)C(Br)=C1)=O |
| Synonyms | 3-Bromo-4-hydroxy-5-nitrobenzoic acid,
67175-27-3,
ACMC-209nxw,
SCHEMBL9706244,
CTK8B2126,
DTXSID50602033,
MSUNRULZELFVQE-UHFFFAOYSA-N,
ANW-35298,
ZINC85224939,
AKOS016007738,
5-bromo-4-hydroxy-3-nitrobenzoic acid,
FCH1387921,
AJ-127654,
AX8239139,
TC-124043,
V7215,
B-9143,
C7H4BrNO5,
3-Bromo-4-hydroxy-5-nitrobenzoicacid,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.927g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.015g/mol |
| Monoisotopic Mass | 260.927g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number