Cas no 87294-24-4 (Benzenamine, 3-chloro-4-(2-methoxyphenoxy)-)
87294-24-4 structure
Product Name:Benzenamine, 3-chloro-4-(2-methoxyphenoxy)-
CAS No:87294-24-4
MF:C13H12ClNO2
MW:249.692882537842
CID:657897
PubChem ID:17605532
Update Time:2025-04-19
Benzenamine, 3-chloro-4-(2-methoxyphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 3-chloro-4-(2-methoxyphenoxy)-
- 3-chloro-4-(2-methoxyphenoxy)aniline
- 87294-24-4
- AKOS000100261
- SCHEMBL6731188
- DTXSID90589738
- 3-CHLORO-4-(2-METHOXYPHENOXY)PHENYLAMINE
-
- Inchi： 1S/C13H12ClNO2/c1-16-12-4-2-3-5-13(12)17-11-7-6-9(15)8-10(11)14/h2-8H,15H2,1H3
- InChI Key： GPQVRPPIICBPTP-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1OC1C=CC=CC=1OC)N
Computed Properties
- Exact Mass: 249.0556563g/mol
- Monoisotopic Mass: 249.0556563g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 240
- 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: 3.6
- Topological Polar Surface Area: 44.5?2
Benzenamine, 3-chloro-4-(2-methoxyphenoxy)- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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