| CAS Number | 311318-63-5 |
| Catalog Number | AG00BH1R(AGN-PC-0WOMQO) |
| Chemical Name | 5-Bromo-2-hydroxy-4-methyl-benzaldehyde |
| IUPAC Name | 5-bromo-2-hydroxy-4-methylbenzaldehyde |
| InChI | InChI=1S/C8H7BrO2/c1-5-2-8(11)6(4-10)3-7(5)9/h2-4,11H,1H3 |
| InChI Key | QEXAZOMOZUCOGO-UHFFFAOYSA-N |
| MDL Number | MFCD01123249 |
| Molecular Formula | C8H7BrO2 |
| Molecular Weight | 215.0440 |
| SMILES | CC1=C(C=C(C=O)C(=C1)O)Br |
| Synonyms | 5-bromo-2-hydroxy-4-methyl-benzaldehyde,
5-bromo-2-hydroxy-4-methylbenzaldehyde,
5-bromo-2-hydroxy-4-methylbenzaldehyde,
311318-63-5,
5-Bromo-2-hydroxy-4-methyl-benzaldehyde,
AC1OGPEG,
SCHEMBL2916048,
CTK7H8561,
ZINC4290803,
BBL035895,
MFCD01123249,
STL444388,
AKOS015996691,
CS-0061188,
FT-0724519,
5-bromo-2-hydroxy-4-methyl-benzaldehyde, AldrichCPR,
ZINC04290803,
CID7172113,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.046g/mol |
| Monoisotopic Mass | 213.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number