200,000+ products from a single source!
sales@angenechem.com
878555-08-9 | Propanoic acid, 2,2-dimethyl-, 4-(2-fluorobenzoyl)phenyl ester
CAS No: 878555-08-9 Catalog No: AG004JFB MDL No:
Product Description
Catalog Number:
AG004JFB
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 4-(2-fluorobenzoyl)phenyl ester
CAS Number:
878555-08-9
Molecular Formula:
C18H17FO3
Molecular Weight:
300.3242
IUPAC Name:
[4-(2-fluorobenzoyl)phenyl] 2,2-dimethylpropanoate
InChI:
InChI=1S/C18H17FO3/c1-18(2,3)17(21)22-13-10-8-12(9-11-13)16(20)14-6-4-5-7-15(14)19/h4-11H,1-3H3
InChI Key:
MSCNKQJWJYABDD-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Oc1ccc(cc1)C(=O)c1ccccc1F
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.329g/mol
Monoisotopic Mass:
300.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.