Cas no 1205-50-1 (Benzoic acid,3-chloro-4-hydroxy-5-methoxy-, methyl ester)
1205-50-1 structure
Product Name:Benzoic acid,3-chloro-4-hydroxy-5-methoxy-, methyl ester
Benzoic acid,3-chloro-4-hydroxy-5-methoxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-chloro-4-hydroxy-5-methoxy-, methyl ester
- Methyl 3-chloro-4-hydroxy-5-methoxybenzoate
- 3-chloro-4-hydroxy-5-methoxy-benzoic acid methyl ester
- ONPNTTNXLNYIJM-UHFFFAOYSA-N
- EINECS 214-884-2
- SCHEMBL1586741
- NS00023922
- 1205-50-1
- DTXSID10152882
-
- Inchi： 1S/C9H9ClO4/c1-13-7-4-5(9(12)14-2)3-6(10)8(7)11/h3-4,11H,1-2H3
- InChI Key： ONPNTTNXLNYIJM-UHFFFAOYSA-N
- SMILES： ClC1=CC(C(=O)OC)=CC(=C1O)OC
Computed Properties
- Exact Mass: 216.01897
- Monoisotopic Mass: 216.019
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 209
- 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
- Topological Polar Surface Area: 55.8A^2
- XLogP3: 2
Experimental Properties
- Density: 1.339
- Boiling Point: 319.9°Cat760mmHg
- Flash Point: 147.3°C
- Refractive Index: 1.549
- PSA: 55.76
Benzoic acid,3-chloro-4-hydroxy-5-methoxy-, methyl ester Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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