Cas no 833484-98-3 (Benzoic acid, 3-chloro-4-(2-naphthalenylmethoxy)-)
833484-98-3 structure
Product Name:Benzoic acid, 3-chloro-4-(2-naphthalenylmethoxy)-
CAS No:833484-98-3
MF:C18H13ClO3
MW:312.747024297714
CID:672241
PubChem ID:11266974
Update Time:2025-04-19
Benzoic acid, 3-chloro-4-(2-naphthalenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-chloro-4-(2-naphthalenylmethoxy)-
- 3-chloro-4-(naphthalen-2-ylmethoxy)benzoic acid
- DTXSID80460668
- SCHEMBL6240179
- 3-chloro-4-[(naphthalen-2-yl)methoxy]benzoic acid
- 833484-98-3
-
- Inchi： 1S/C18H13ClO3/c19-16-10-15(18(20)21)7-8-17(16)22-11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H,20,21)
- InChI Key： MKZNMTIBGOPADM-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=O)O)C=CC=1OCC1C=CC2C=CC=CC=2C=1
Computed Properties
- Exact Mass: 312.0553220g/mol
- Monoisotopic Mass: 312.0553220g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 387
- 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: 4.8
- Topological Polar Surface Area: 46.5?2
Benzoic acid, 3-chloro-4-(2-naphthalenylmethoxy)- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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