Cas no 473732-71-7 (Benzenemethanamine, 3-chloro-α-ethyl-4-fluoro-)
473732-71-7 structure
Product Name:Benzenemethanamine, 3-chloro-α-ethyl-4-fluoro-
CAS No:473732-71-7
MF:C9H11ClFN
MW:187.641744852066
CID:2644925
PubChem ID:58736686
Update Time:2023-10-31
Benzenemethanamine, 3-chloro-α-ethyl-4-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanamine, 3-chloro-α-ethyl-4-fluoro-
- A1-32279
- SCHEMBL12261563
- 1-(3-chloro-4-fluorophenyl)propan-1-amine
- AKOS012393821
- 473732-71-7
-
- Inchi： 1S/C9H11ClFN/c1-2-9(12)6-3-4-8(11)7(10)5-6/h3-5,9H,2,12H2,1H3
- InChI Key： CUBLZMDQAQMWND-UHFFFAOYSA-N
- SMILES： CCC(N)C1C=CC(F)=C(Cl)C=1
Computed Properties
- Exact Mass: 187.0564052g/mol
- Monoisotopic Mass: 187.0564052g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 143
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 26?2
Benzenemethanamine, 3-chloro-α-ethyl-4-fluoro- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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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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