Cas no 869569-70-0 (Benzoic acid, 3-chloro-4-(cyclopropyloxy)-)
869569-70-0 structure
Product Name:Benzoic acid, 3-chloro-4-(cyclopropyloxy)-
CAS No:869569-70-0
MF:C10H9ClO3
MW:212.629662275314
CID:1857434
PubChem ID:57594356
Update Time:2025-04-21
Benzoic acid, 3-chloro-4-(cyclopropyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-chloro-4-(cyclopropyloxy)-
- 3-chloro-4-(cyclopropyloxy)Benzoic acid
- MB63875
- DA-23821
- 3-CHLORO-4-CYCLOPROPOXYBENZOIC ACID
- 869569-70-0
- DTXSID201278602
- SCHEMBL2617366
-
- Inchi： 1S/C10H9ClO3/c11-8-5-6(10(12)13)1-4-9(8)14-7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13)
- InChI Key： ZHGFBIQXDUUESK-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=O)O)C=CC=1OC1CC1
Computed Properties
- Exact Mass: 212.0240218Da
- Monoisotopic Mass: 212.0240218Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 227
- 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: 3.4
- Topological Polar Surface Area: 46.5?2
Benzoic acid, 3-chloro-4-(cyclopropyloxy)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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