| CAS Number | 173315-54-3 |
| Catalog Number | AG001YSF(AGN-PC-0NBJA9) |
| Chemical Name | Benzoic acid, 2-chloro-4-fluoro-3-methyl- |
| IUPAC Name | 2-chloro-4-fluoro-3-methylbenzoic acid |
| InChI | InChI=1S/C8H6ClFO2/c1-4-6(10)3-2-5(7(4)9)8(11)12/h2-3H,1H3,(H,11,12) |
| InChI Key | DBMUFFHLBXKTDM-UHFFFAOYSA-N |
| MDL Number | MFCD11846444 |
| Molecular Formula | C8H6ClFO2 |
| Molecular Weight | 188.5834 |
| SMILES | O=C(O)C1=CC=C(F)C(C)=C1Cl |
| Synonyms | 2-chloro-4-fluoro-3-methylbenzoic acid,
173315-54-3,
Benzoic acid, 2-chloro-4-fluoro-3-methyl-,
MFCD11846444,
2-chloro-4-fluoro-3-methyl-benzoic Acid,
SCHEMBL105995,
KS-00000ZIZ,
DBMUFFHLBXKTDM-UHFFFAOYSA-N,
ZINC72284166,
AKOS024438282,
FCH1121372,
2-chloro-3-methyl-4-fluoro-benzoic acid,
2-Chloro-4-fluoro-3-methyl benzoic acid,
AK201153,
AS-33371,
CID10845315,
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| 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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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
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UN Code
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Certificate of Analysis
Lot Number