Cas no 135452-32-3 (Benzeneacetonitrile, 2-amino-6-fluoro- (9CI))
135452-32-3 structure
Product Name:Benzeneacetonitrile, 2-amino-6-fluoro- (9CI)
CAS No:135452-32-3
MF:C8H7FN2
MW:150.152984857559
CID:900704
PubChem ID:45079046
Update Time:2025-04-19
Benzeneacetonitrile, 2-amino-6-fluoro- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Benzeneacetonitrile, 2-amino-6-fluoro- (9CI)
- 2-(2-amino-6-fluorophenyl)acetonitrile
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- Inchi： 1S/C8H7FN2/c9-7-2-1-3-8(11)6(7)4-5-10/h1-3H,4,11H2
- InChI Key： PEEQRNHMQLQAGE-UHFFFAOYSA-N
- SMILES： FC1=CC=CC(=C1CC#N)N
Computed Properties
- Exact Mass: 150.05941
- Monoisotopic Mass: 150.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 172
- 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: 49.8A^2
- XLogP3: 1
Experimental Properties
- PSA: 49.81
Benzeneacetonitrile, 2-amino-6-fluoro- (9CI) Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
135452-32-3 (Benzeneacetonitrile, 2-amino-6-fluoro- (9CI)) Related Products
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