200,000+ products from a single source!
sales@angenechem.com
55776-80-2 | Benzeneacetic acid, 3-fluoro-alpha-(1-methylethyl)-
CAS No: 55776-80-2 Catalog No: AG01F8W1 MDL No:
Product Description
Catalog Number:
AG01F8W1
Chemical Name:
Benzeneacetic acid, 3-fluoro-alpha-(1-methylethyl)-
CAS Number:
55776-80-2
Molecular Formula:
C11H13FO2
Molecular Weight:
196.2181
IUPAC Name:
2-(3-fluorophenyl)-3-methylbutanoic acid
InChI:
InChI=1S/C11H13FO2/c1-7(2)10(11(13)14)8-4-3-5-9(12)6-8/h3-7,10H,1-2H3,(H,13,14)
InChI Key:
PDKDGCNJVPFVFR-UHFFFAOYSA-N
SMILES:
CC(C(c1cccc(c1)F)C(=O)O)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.221g/mol
Monoisotopic Mass:
196.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
© 2019 Angene International Limited. All rights Reserved.