Cas no 911115-87-2 (Benzoic acid, 4-chloro-3-(3-methoxypropoxy)-, 3-methoxypropyl ester)
911115-87-2 structure
Product Name:Benzoic acid, 4-chloro-3-(3-methoxypropoxy)-, 3-methoxypropyl ester
CAS No:911115-87-2
MF:C15H21ClO5
MW:316.777244329453
CID:1967708
PubChem ID:68616204
Update Time:2025-04-21
Benzoic acid, 4-chloro-3-(3-methoxypropoxy)-, 3-methoxypropyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-chloro-3-(3-methoxypropoxy)-, 3-methoxypropyl ester
- SCHEMBL3369968
- 911115-87-2
- DB-108449
- BYJMCXWSUQDIOE-UHFFFAOYSA-N
- 4-chloro-3-(3-methoxy-propoxy)-benzoic acid 3-methoxy-propyl ester
-
- Inchi： 1S/C15H21ClO5/c1-18-7-3-9-20-14-11-12(5-6-13(14)16)15(17)21-10-4-8-19-2/h5-6,11H,3-4,7-10H2,1-2H3
- InChI Key： BYJMCXWSUQDIOE-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C(=O)OCCCOC)C=C1OCCCOC
Computed Properties
- Exact Mass: 316.1077515Da
- Monoisotopic Mass: 316.1077515Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 11
- Complexity: 287
- 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: 2.8
- Topological Polar Surface Area: 54?2
Benzoic acid, 4-chloro-3-(3-methoxypropoxy)-, 3-methoxypropyl ester Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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