Cas no 127266-00-6 (2-Naphthalenecarboxylic acid, 6-chloro-4-hydroxy-, methyl ester)
127266-00-6 structure
Product Name:2-Naphthalenecarboxylic acid, 6-chloro-4-hydroxy-, methyl ester
CAS No:127266-00-6
MF:C12H9ClO3
MW:236.651062726974
CID:832415
PubChem ID:5745058
Update Time:2025-04-19
2-Naphthalenecarboxylic acid, 6-chloro-4-hydroxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 2-Naphthalenecarboxylic acid, 6-chloro-4-hydroxy-, methyl ester
- METHYL 6-CHLORO-4-HYDROXY-2-NAPHTHOATE
- methyl 6-chloro-4-hydroxynaphthalene-2-carboxylate
- 3-Naphthalenecarboxylic acid, 7-chloro-1-hydroxy-, methyl ester
- 7-Chloro-1-hydroxy-3-naphthalenecarboxylic acid methyl ester
- Methyl-6-chlor-4-hydroxy-2-naphthoat
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- Inchi: 1S/C12H9ClO3/c1-16-12(15)8-4-7-2-3-9(13)6-10(7)11(14)5-8/h2-6,14H,1H3
- InChI Key: WUHPQWSPWOMPKJ-UHFFFAOYSA-N
- SMILES: ClC1C=CC2=CC(C(=O)OC)=CC(=C2C=1)O
Computed Properties
- Exact Mass: 236.02407
- Monoisotopic Mass: 236.0240218g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 269
- 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: 3.6
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
2-Naphthalenecarboxylic acid, 6-chloro-4-hydroxy-, methyl ester Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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