Cas no 76597-78-9 (Benzoic acid,3-(2-chloroacetyl)-)
76597-78-9 structure
Product Name:Benzoic acid,3-(2-chloroacetyl)-
CAS No:76597-78-9
MF:C9H7ClO3
MW:198.603081941605
MDL:MFCD13172924
CID:561517
PubChem ID:45080951
Update Time:2025-04-19
Benzoic acid,3-(2-chloroacetyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-(2-chloroacetyl)-
- Benzoicacid, 3-(chloroacetyl)- (9CI)
- 3-(2-chloroacetyl)benzoic acid
- 3-(Chloroacetyl)benzoic acid
- 76597-78-9
- DTXSID30664230
- SCHEMBL20894278
-
- MDL： MFCD13172924
- Inchi： 1S/C9H7ClO3/c10-5-8(11)6-2-1-3-7(4-6)9(12)13/h1-4H,5H2,(H,12,13)
- InChI Key： KSZUHGARMNGBKZ-UHFFFAOYSA-N
- SMILES： ClCC(C1C=CC=C(C(=O)O)C=1)=O
Computed Properties
- Exact Mass: 198.00841
- Monoisotopic Mass: 198.008
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 215
- 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: 2.2
- Topological Polar Surface Area: 54.4A^2
Experimental Properties
- PSA: 54.37
Benzoic acid,3-(2-chloroacetyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | D258487-250mg |
3-(2-CHLOROACETYL)BENZOIC ACID |
76597-78-9 | 95% | 250mg |
$350 | 2025-02-19 | |
| eNovation Chemicals LLC | D258487-250mg |
3-(2-CHLOROACETYL)BENZOIC ACID |
76597-78-9 | 95% | 250mg |
$350 | 2025-02-26 | |
| eNovation Chemicals LLC | D258487-250mg |
3-(2-CHLOROACETYL)BENZOIC ACID |
76597-78-9 | 95% | 250mg |
$350 | 2024-08-03 |
Benzoic acid,3-(2-chloroacetyl)- Related Literature
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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