Cas no 59363-19-8 (1,2-Butanediol, 4-(2-chlorophenyl)-)
59363-19-8 structure
Product Name:1,2-Butanediol, 4-(2-chlorophenyl)-
CAS No:59363-19-8
MF:C10H13ClO2
MW:200.662022352219
CID:338959
PubChem ID:53860679
Update Time:2025-04-19
1,2-Butanediol, 4-(2-chlorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Butanediol, 4-(2-chlorophenyl)-
- 4-(2-chlorophenyl)butane-1,2-diol
- SCHEMBL11460626
- 59363-19-8
- DTXSID60707200
-
- Inchi： 1S/C10H13ClO2/c11-10-4-2-1-3-8(10)5-6-9(13)7-12/h1-4,9,12-13H,5-7H2
- InChI Key： GUOXFXGVIWVZDU-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1CCC(CO)O
Computed Properties
- Exact Mass: 200.06049
- Monoisotopic Mass: 200.0604073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 141
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,2-Butanediol, 4-(2-chlorophenyl)- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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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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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
59363-19-8 (1,2-Butanediol, 4-(2-chlorophenyl)-) Related Products
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