Cas no 67632-03-5 (Benzoic acid, 2-chloro-3,4-bis(phenylmethoxy)-)
67632-03-5 structure
Product Name:Benzoic acid, 2-chloro-3,4-bis(phenylmethoxy)-
CAS No:67632-03-5
MF:C21H17ClO4
MW:368.810285329819
CID:1720360
PubChem ID:12876192
Update Time:2025-04-21
Benzoic acid, 2-chloro-3,4-bis(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-chloro-3,4-bis(phenylmethoxy)-
- AT10464
- 67632-03-5
- 3,4-BIS(BENZYLOXY)-2-CHLOROBENZOIC ACID
- SCHEMBL11110377
- DB-116665
-
- Inchi： 1S/C21H17ClO4/c22-19-17(21(23)24)11-12-18(25-13-15-7-3-1-4-8-15)20(19)26-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,23,24)
- InChI Key： OBZRMGAHCFVOQW-UHFFFAOYSA-N
- SMILES： ClC1C(C(=O)O)=CC=C(C=1OCC1C=CC=CC=1)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 368.08161
- Monoisotopic Mass: 368.0815367g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 7
- Complexity: 432
- 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: 5
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
Benzoic acid, 2-chloro-3,4-bis(phenylmethoxy)- Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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