Cas no 919994-91-5 (2-Naphthalenecarboxylic acid, 3-chloro-8-hydroxy-, ethyl ester)
919994-91-5 structure
Product Name:2-Naphthalenecarboxylic acid, 3-chloro-8-hydroxy-, ethyl ester
CAS No:919994-91-5
MF:C13H11ClO3
MW:250.677643060684
CID:760299
PubChem ID:66881802
Update Time:2025-04-19
2-Naphthalenecarboxylic acid, 3-chloro-8-hydroxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarboxylic acid, 3-chloro-8-hydroxy-, ethyl ester
- ethyl 3-chloro-8-hydroxynaphthalene-2-carboxylate
- LCHIKVQGOGLGPS-UHFFFAOYSA-N
- 3-chloro-8-hydroxy-naphthalene-2-carboxylic acid ethyl ester
- 919994-91-5
- DTXSID70735953
- SCHEMBL1028143
-
- Inchi： 1S/C13H11ClO3/c1-2-17-13(16)10-7-9-8(6-11(10)14)4-3-5-12(9)15/h3-7,15H,2H2,1H3
- InChI Key： LCHIKVQGOGLGPS-UHFFFAOYSA-N
- SMILES： ClC1C=C2C=CC=C(C2=CC=1C(=O)OCC)O
Computed Properties
- Exact Mass: 250.0396719g/mol
- Monoisotopic Mass: 250.0396719g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 282
- 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: 3.7
- Topological Polar Surface Area: 46.5?2
2-Naphthalenecarboxylic acid, 3-chloro-8-hydroxy-, ethyl ester Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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