200,000+ products from a single source!
sales@angenechem.com
451-02-5 | Ethyl 3-Fluorobenzoate
CAS No: 451-02-5 Catalog No: AG0038PZ MDL No:MFCD00000336
Product Description
Catalog Number:
AG0038PZ
Chemical Name:
Ethyl 3-Fluorobenzoate
CAS Number:
451-02-5
Molecular Formula:
C9H9FO2
Molecular Weight:
168.1650
MDL Number:
MFCD00000336
IUPAC Name:
ethyl 3-fluorobenzoate
InChI:
InChI=1S/C9H9FO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChI Key:
SMMIKBXLEWTSJD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)F
EC Number:
207-191-1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.167g/mol
Monoisotopic Mass:
168.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.