| CAS Number | 877149-07-0 |
| Catalog Number | AG00IEQM(AGN-PC-0WCXZI) |
| Chemical Name | 4-Bromo-2-Chloro-6-Methylbenzoic Acid |
| IUPAC Name | 4-bromo-2-chloro-6-methylbenzoic acid |
| InChI | InChI=1S/C8H6BrClO2/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3H,1H3,(H,11,12) |
| InChI Key | ORIIFCWVWHSUIN-UHFFFAOYSA-N |
| MDL Number | MFCD19686179 |
| Molecular Formula | C8H6BrClO2 |
| Molecular Weight | 249.4890 |
| SMILES | O=C(O)C1=C(C)C=C(Br)C=C1Cl |
| Synonyms | 4-Bromo-2-chloro-6-methylbenzoic acid,
877149-07-0,
4-bromo-2-chloro-6methylbenzoic acid,
SCHEMBL1104465,
CTK8E4851,
ORIIFCWVWHSUIN-UHFFFAOYSA-N,
GEO-00406,
MFCD19686179,
ZINC67802813,
AKOS025296052,
MCULE-5868344526,
4-Bromo-2-chloro-6-methyl-benzoic acid,
TX-016945,
Z0970,
Q-7370,
W-200516,
Z1741785926,
C8H6BrClO2,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.488g/mol |
| Monoisotopic Mass | 247.924g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number