| SpectraBase Spectrum ID |
BAF2qt87Ovf |
| Name |
3-Chloro-4-methyl-benzoic acid |
| CAS Registry Number |
5162-82-3 |
| Comments |
Edited after expert review for air contamination - Original record with SpectrumID 1472158 moved to the Legacy library |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H7ClO2 |
| InChI |
InChI=1S/C8H7ClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11) |
| InChIKey |
SDKUOEOJAXGCLU-UHFFFAOYSA-N |
| Molecular Weight |
170.595 g/mol |
| SMILES |
OC(c1cc(c(C)cc1)Cl)=O |
| SPLASH |
splash10-0fmr-2900000000-ea94ac16a15ec1a0032f |
| Synonyms |
3-Chloranyl-4-methyl-benzoic acid
3-Chloro-p-toluic acid
Benzoic acid, 3-chloro-4-methyl-
p-Toluic acid, 3-chloro-
BRN 1936498 |
| Wiley ID |
1820861 |
