Cas no 219685-77-5 (Benzoic acid, 2,5-dichloro-4-hydroxy-, methyl ester)
219685-77-5 structure
Product Name:Benzoic acid, 2,5-dichloro-4-hydroxy-, methyl ester
CAS No:219685-77-5
MF:C8H6Cl2O3
MW:221.037440776825
CID:1409452
PubChem ID:11127832
Update Time:2025-04-20
Benzoic acid, 2,5-dichloro-4-hydroxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,5-dichloro-4-hydroxy-, methyl ester
- methyl 2,5-dichloro-4-hydroxybenzoate
- SCHEMBL2650105
- DTXSID10456216
- VUOSYXHBPMMELM-UHFFFAOYSA-N
- 219685-77-5
-
- Inchi： 1S/C8H6Cl2O3/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h2-3,11H,1H3
- InChI Key： VUOSYXHBPMMELM-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=CC=1C(=O)OC)Cl)O
Computed Properties
- Exact Mass: 219.96948
- Monoisotopic Mass: 219.9693994g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 198
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Benzoic acid, 2,5-dichloro-4-hydroxy-, methyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A015013381-250mg |
Methyl 2,5-dichloro-4-hydroxybenzoate |
219685-77-5 | 97% | 250mg |
$499.20 | 2023-09-02 | |
| Alichem | A015013381-500mg |
Methyl 2,5-dichloro-4-hydroxybenzoate |
219685-77-5 | 97% | 500mg |
$790.55 | 2023-09-02 | |
| Alichem | A015013381-1g |
Methyl 2,5-dichloro-4-hydroxybenzoate |
219685-77-5 | 97% | 1g |
$1534.70 | 2023-09-02 |
Benzoic acid, 2,5-dichloro-4-hydroxy-, methyl ester Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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