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Home > Fluorides > 819883-84-6
819883-84-6 | Benzoic acid, 4-(2-fluoroethyl)-
CAS No: 819883-84-6 Catalog No: AG008KRK MDL No:
Product Description
Catalog Number:
AG008KRK
Chemical Name:
Benzoic acid, 4-(2-fluoroethyl)-
CAS Number:
819883-84-6
Molecular Formula:
C9H9FO2
Molecular Weight:
168.1650
IUPAC Name:
4-(2-fluoroethyl)benzoic acid
InChI:
InChI=1S/C9H9FO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6H2,(H,11,12)
InChI Key:
OUNSQQDBHGFWFM-UHFFFAOYSA-N
SMILES:
FCCc1ccc(cc1)C(=O)O
Properties
Complexity:
151
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:
1
Isotope Atom Count:
0
Molecular Weight:
168.167g/mol
Monoisotopic Mass:
168.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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