Cas no 153775-48-5 (Benzoic acid,3-amino-5-fluoro-, 2-propen-1-yl ester)
153775-48-5 structure
Product Name:Benzoic acid,3-amino-5-fluoro-, 2-propen-1-yl ester
CAS No:153775-48-5
MF:C10H10FNO2
MW:195.190306186676
CID:106334
PubChem ID:22168639
Update Time:2025-04-18
Benzoic acid,3-amino-5-fluoro-, 2-propen-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-amino-5-fluoro-, 2-propen-1-yl ester
- Benzoic acid, 3-amino-5-fluoro-, 2-propenyl ester (9CI)
- 153775-48-5
- Allyl 3-amino-5-fluorobenzoate
- prop-2-enyl 3-amino-5-fluorobenzoate
- SCHEMBL5095092
-
- Inchi： 1S/C10H10FNO2/c1-2-3-14-10(13)7-4-8(11)6-9(12)5-7/h2,4-6H,1,3,12H2
- InChI Key： DJDYVFDDXZNOGF-UHFFFAOYSA-N
- SMILES： FC1C=C(C=C(C(=O)OCC=C)C=1)N
Computed Properties
- Exact Mass: 195.0696
- Monoisotopic Mass: 195.07
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 220
- 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: 52.3A^2
- XLogP3: 1.8
Experimental Properties
- PSA: 52.32
Benzoic acid,3-amino-5-fluoro-, 2-propen-1-yl ester Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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