| CAS Number | 103877-61-8 |
| Catalog Number | AG0039ZB(AGN-PC-0WCY5U) |
| Chemical Name | 2-chloro-5-fluoro-4-methylbenzoic acid |
| IUPAC Name | 2-chloro-5-fluoro-4-methylbenzoic acid |
| InChI | InChI=1S/C8H6ClFO2/c1-4-2-6(9)5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12) |
| InChI Key | WUQWRURRTPWWGH-UHFFFAOYSA-N |
| MDL Number | MFCD18426003 |
| Molecular Formula | C8H6ClFO2 |
| Molecular Weight | 188.5834 |
| SMILES | O=C(O)C1=CC(F)=C(C)C=C1Cl |
| Synonyms | 2-chloro-5-fluoro-4-methylbenzoic acid,
103877-61-8,
SCHEMBL448497,
DTXSID40545980,
WUQWRURRTPWWGH-UHFFFAOYSA-N,
ZX-AP009754,
CL8980,
MFCD18426003,
ZINC34119714,
FCH1154549,
PC49251,
2-Chloro-5-fluoro-4-methyl-benzoic acid,
AS-46160,
AB0087554,
AX8267155,
Benzoic acid, 2-chloro-5-fluoro-4-methyl-,
X-3576,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.582g/mol |
| Monoisotopic Mass | 188.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number