Cas no 278805-36-0 (Benzoic acid, 5-chloro-2,3-dihydroxy-, methyl ester)
278805-36-0 structure
Product Name:Benzoic acid, 5-chloro-2,3-dihydroxy-, methyl ester
CAS No:278805-36-0
MF:C8H7ClO4
MW:202.59178185463
CID:1432880
PubChem ID:18613685
Update Time:2025-04-20
Benzoic acid, 5-chloro-2,3-dihydroxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 5-chloro-2,3-dihydroxy-, methyl ester
- methyl 5-chloro-2,3-dihydroxybenzoate
- 278805-36-0
- G81385
- SCHEMBL855750
- 5-chloro-2,3-dihydroxy-benzoic acid methyl ester
- NWLWOSLKONPRKX-UHFFFAOYSA-N
-
- Inchi： 1S/C8H7ClO4/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3,10-11H,1H3
- InChI Key： NWLWOSLKONPRKX-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=C(C(=O)OC)C=1)O)O
Computed Properties
- Exact Mass: 202.0032864g/mol
- Monoisotopic Mass: 202.0032864g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 197
- 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: 2.4
- Topological Polar Surface Area: 66.8?2
Benzoic acid, 5-chloro-2,3-dihydroxy-, methyl ester Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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