Cas no 1034026-16-8 (5-(3-Chlorobenzyloxy)-2-methylbenzoic acid)
1034026-16-8 structure
Product Name:5-(3-Chlorobenzyloxy)-2-methylbenzoic acid
CAS No:1034026-16-8
MF:C15H13ClO3
MW:276.714923620224
CID:2114616
Update Time:2023-08-04
5-(3-Chlorobenzyloxy)-2-methylbenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 5-(3-chlorobenzyloxy)-2-methylbenzoic acid
- XYWOHXNAXJSTJD-UHFFFAOYSA-N
- 5{[(3-chlorophenyl)methyl]oxy}-2-methylbenzoic acid
- 5-{[(3-chlorophenyl)methyl]oxy}-2-methylbenzoic acid
- 5-{[(3-Chlorophenyl)methyl]oxy}-2-methyl benzoic acid
- 5-(3-Chlorobenzyloxy)-2-methylbenzoic acid
-
- Inchi： 1S/C15H13ClO3/c1-10-5-6-13(8-14(10)15(17)18)19-9-11-3-2-4-12(16)7-11/h2-8H,9H2,1H3,(H,17,18)
- InChI Key： XYWOHXNAXJSTJD-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)COC1C=CC(C)=C(C(=O)O)C=1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 308
- Topological Polar Surface Area: 46.5
5-(3-Chlorobenzyloxy)-2-methylbenzoic acid Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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