Cas no 117721-69-4 (Benzene, 1-butoxy-2-(chloromethyl)-)
117721-69-4 structure
Product Name:Benzene, 1-butoxy-2-(chloromethyl)-
CAS No:117721-69-4
MF:C11H15ClO
MW:198.689202547073
CID:1206971
PubChem ID:15938930
Update Time:2025-04-20
Benzene, 1-butoxy-2-(chloromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-butoxy-2-(chloromethyl)-
- 1-butoxy-2-(chloromethyl)benzene
- SCHEMBL6427364
- 117721-69-4
- DTXSID80579926
-
- Inchi： 1S/C11H15ClO/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h4-7H,2-3,8-9H2,1H3
- InChI Key： PZJDKLXZSIMYQN-UHFFFAOYSA-N
- SMILES： ClCC1C=CC=CC=1OCCCC
Computed Properties
- Exact Mass: 198.08125
- Monoisotopic Mass: 198.0811428g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 127
- 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: 3.5
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1-butoxy-2-(chloromethyl)- Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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