| CAS Number | 1086386-05-1 |
| Catalog Number | AG007C60(AGN-PC-07XVLC) |
| Chemical Name | Benzenepropanoic acid, 4-chloro-3-methyl- |
| IUPAC Name | 3-(4-chloro-3-methylphenyl)propanoic acid |
| InChI | InChI=1S/C10H11ClO2/c1-7-6-8(2-4-9(7)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13) |
| InChI Key | PCLIPGMIRVJYFB-UHFFFAOYSA-N |
| MDL Number | MFCD11655590 |
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.6461 |
| SMILES | OC(=O)CCc1ccc(c(c1)C)Cl |
| Synonyms | 1086386-05-1,
3-(4-chloro-3-methylphenyl)propanoic acid,
3-(4-Chloro-3-methyl-phenyl)-propionic acid,
MFCD11655590,
3-(4-Chloro-3-methylphenyl)propionic acid,
Benzenepropanoic acid, 4-chloro-3-methyl-,
F9995-1023,
CTK0G9242,
DTXSID40675433,
ZINC36179924,
AKOS015958362,
MCULE-3566859648,
SC-30412,
3-(4'-Chloro-3'-methylphenyl)propionic acid,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.646g/mol |
| Monoisotopic Mass | 198.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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-P280a-P304+P340-P305+P351+P338-P405-P501a
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UN Code
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Certificate of Analysis
Lot Number