Cas no 110706-48-4 (1,2-Benzenedimethanol, 3-chloro-)
110706-48-4 structure
Product Name:1,2-Benzenedimethanol, 3-chloro-
CAS No:110706-48-4
MF:C8H9ClO2
MW:172.608861684799
CID:1194905
PubChem ID:17862674
Update Time:2025-04-20
1,2-Benzenedimethanol, 3-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedimethanol, 3-chloro-
- [3-chloro-2-(hydroxymethyl)phenyl]methanol
- 3-chloro-1,2-di-(hydroxymethyl)benzene
- 110706-48-4
- NDQYVFKHPRRCSL-UHFFFAOYSA-N
- 3-chloro-1,2-di-(hydroxymethyl) benzene
- F97569
- 3-chloro-1,2-benzenedimethanol
- (3-Chloro-1,2-phenylene)dimethanol
- 1,2-Bishydroxymethyl-3-chlorobenzene
- SCHEMBL2660504
- DTXSID40591366
-
- Inchi： 1S/C8H9ClO2/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3,10-11H,4-5H2
- InChI Key： NDQYVFKHPRRCSL-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(CO)=C1CO
Computed Properties
- Exact Mass: 172.02917
- Monoisotopic Mass: 172.0291072g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 119
- 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: 0.8
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,2-Benzenedimethanol, 3-chloro- Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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