Home Other Building Blocks 3-ETHYL-5-FLUOROBENZOIC ACID

3-ETHYL-5-FLUOROBENZOIC ACID

CAS No.:
1261843-53-1
Catalog Number:
AG01BJLN
Molecular Formula:
C9H9FO2
Molecular Weight:
168.1650
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Product Description
Catalog Number:
AG01BJLN
Chemical Name:
3-ETHYL-5-FLUOROBENZOIC ACID
CAS Number:
1261843-53-1
Molecular Formula:
C9H9FO2
Molecular Weight:
168.1650
MDL Number:
MFCD18411937
IUPAC Name:
3-ethyl-5-fluorobenzoic acid
InChI:
InChI=1S/C9H9FO2/c1-2-6-3-7(9(11)12)5-8(10)4-6/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
UACPZQPRJQGCSD-UHFFFAOYSA-N
SMILES:
CCc1cc(F)cc(c1)C(=O)O
Properties
Complexity:
170  
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:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties