Cas no 874186-81-9 (Benzenamine, 2-fluoro-4-methyl-, hydrobromide)
874186-81-9 structure
Product Name:Benzenamine, 2-fluoro-4-methyl-, hydrobromide
CAS No:874186-81-9
MF:C7H9BrFN
MW:206.055464506149
CID:1900512
PubChem ID:71412889
Update Time:2025-04-21
Benzenamine, 2-fluoro-4-methyl-, hydrobromide Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 2-fluoro-4-methyl-, hydrobromide
- 2-fluoro-4-methylaniline,hydrobromide
- 2-Fluoro-4-methylaniline--hydrogen bromide (1/1)
- DTXSID40832423
- 874186-81-9
-
- Inchi： 1S/C7H8FN.BrH/c1-5-2-3-7(9)6(8)4-5;/h2-4H,9H2,1H3;1H
- InChI Key： KTGJUWNUAAWYRE-UHFFFAOYSA-N
- SMILES： Br.FC1C=C(C)C=CC=1N
Computed Properties
- Exact Mass: 204.99024Da
- Monoisotopic Mass: 204.99024Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 94.9
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26?2
Benzenamine, 2-fluoro-4-methyl-, hydrobromide Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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