Cas no 329-66-8 (Benzoic acid,3-amino-4-fluoro-, butyl ester)
329-66-8 structure
Product Name:Benzoic acid,3-amino-4-fluoro-, butyl ester
CAS No:329-66-8
MF:C11H14FNO2
MW:211.232766628265
CID:293611
PubChem ID:60834868
Update Time:2025-04-19
Benzoic acid,3-amino-4-fluoro-, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-amino-4-fluoro-, butyl ester
- DTXSID801305596
- butyl 3-amino-4-fluorobenzoate
- 329-66-8
-
- Inchi: 1S/C11H14FNO2/c1-2-3-6-15-11(14)8-4-5-9(12)10(13)7-8/h4-5,7H,2-3,6,13H2,1H3
- InChI Key: UNKCMGRCILYGHE-UHFFFAOYSA-N
- SMILES: FC1C=CC(=CC=1N)C(=O)OCCCC
Computed Properties
- Exact Mass: 211.10085685g/mol
- Monoisotopic Mass: 211.10085685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 211
- 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: 2.4
- Topological Polar Surface Area: 52.3?2
Benzoic acid,3-amino-4-fluoro-, butyl ester Related Literature
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1. Elemental content of Vietnamese ricePart 1. Sampling, analysis and comparison with previous studiesTran Dong Phuong,S. Kokot,Pham Van Chuong,D. Tong Khiem Analyst 1999 124 553
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2. 730. The X-ray analysis of tricarbonylcyclo-octa-1,3,5-trienyl-chromiumV. S. Armstrong,C. K. Prout J. Chem. Soc. 1962 3770
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