Cas no 898268-48-9 (6-bromo-2,3-difluoro-4-methoxy-aniline)
898268-48-9 structure
Product Name:6-bromo-2,3-difluoro-4-methoxy-aniline
CAS No:898268-48-9
MF:C7H6BrF2NO
MW:238.029448032379
CID:1944922
Update Time:2025-01-02
6-bromo-2,3-difluoro-4-methoxy-aniline Chemical and Physical Properties
Names and Identifiers
-
- 6-bromo-2,3-difluoro-4-methoxy-aniline
- LogP
- Benzenamine, 6-bromo-2,3-difluoro-4-methoxy-
-
- Inchi： 1S/C7H6BrF2NO/c1-12-4-2-3(8)7(11)6(10)5(4)9/h2H,11H2,1H3
- InChI Key： PHIZFZBIPFHJPH-UHFFFAOYSA-N
- SMILES： C1(N)=C(Br)C=C(OC)C(F)=C1F
Computed Properties
- Exact Mass: 236.96
- Monoisotopic Mass: 236.96
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 160
- 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: 35.2A^2
Experimental Properties
- Density: 1.696±0.06 g/cm3(Predicted)
- Boiling Point: 245.6±35.0 °C(Predicted)
- pka: 0.73±0.10(Predicted)
6-bromo-2,3-difluoro-4-methoxy-aniline Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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