Cas no 84478-65-9 (Benzenamine, 4-chloro-2-fluoro-5-(2-propynyloxy)-)
84478-65-9 structure
Product Name:Benzenamine, 4-chloro-2-fluoro-5-(2-propynyloxy)-
CAS No:84478-65-9
MF:C9H7ClFNO
MW:199.609384775162
CID:667128
PubChem ID:13272927
Update Time:2025-04-19
Benzenamine, 4-chloro-2-fluoro-5-(2-propynyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 4-chloro-2-fluoro-5-(2-propynyloxy)-
- 4-chloro-2-fluoro-5-prop-2-ynoxyaniline
- DTXSID70533850
- 4-chloro-2 fluoro-5-[(2-propynyl)oxy]-aniline
- 4-Chloro-2-fluoro-5-[(prop-2-yn-1-yl)oxy]aniline
- 84478-65-9
- 4-chloro-2-fluoro-5-(2-propynyloxy)aniline
- 4-Chloro-2-fluoro-5-[(2-propynyl)oxy]aniline
- 4-chloro-2-fluoro-5-(2-propynyl)oxyaniline
- SCHEMBL4592760
- LJQYJIZHXPFEBQ-UHFFFAOYSA-N
- 4-chloro-2-fluoro-5-propargyloxyaniline
-
- Inchi： 1S/C9H7ClFNO/c1-2-3-13-9-5-8(12)7(11)4-6(9)10/h1,4-5H,3,12H2
- InChI Key： LJQYJIZHXPFEBQ-UHFFFAOYSA-N
- SMILES： ClC1=CC(=C(C=C1OCC#C)N)F
Computed Properties
- Exact Mass: 199.0200197g/mol
- Monoisotopic Mass: 199.0200197g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 215
- 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: 2.1
- Topological Polar Surface Area: 35.2?2
Benzenamine, 4-chloro-2-fluoro-5-(2-propynyloxy)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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