Cas no 91498-80-5 (2-Naphthalenecarboxylic acid, 8-chloro-4-Methoxy-)
91498-80-5 structure
Product Name:2-Naphthalenecarboxylic acid, 8-chloro-4-Methoxy-
CAS No:91498-80-5
MF:C12H9ClO3
MW:236.651062726974
CID:832355
PubChem ID:73013874
Update Time:2025-04-19
2-Naphthalenecarboxylic acid, 8-chloro-4-Methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarboxylic acid, 8-chloro-4-Methoxy-
- 8-CHLORO-4-METHOXY-2-NAPHTHALENECARBOXYLIC ACID
- 8-Chloro-4-methoxy-2-naphthoic acid
- 91498-80-5
-
- Inchi： 1S/C12H9ClO3/c1-16-11-6-7(12(14)15)5-9-8(11)3-2-4-10(9)13/h2-6H,1H3,(H,14,15)
- InChI Key： SSKZPOOTBWGDJR-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC2=C(C=C(C(=O)O)C=C21)OC
Computed Properties
- Exact Mass: 236.0240218g/mol
- 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: 3.3
- Topological Polar Surface Area: 46.5?2
2-Naphthalenecarboxylic acid, 8-chloro-4-Methoxy- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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