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459-31-4

459-31-4 | 3-(4-Fluorophenyl)propanoic acid

CAS No: 459-31-4 Catalog No: AG0033GH MDL No:MFCD00060327

Product Description

Catalog Number:
AG0033GH
Chemical Name:
3-(4-Fluorophenyl)propanoic acid
CAS Number:
459-31-4
Molecular Formula:
C9H9FO2
Molecular Weight:
168.1650
MDL Number:
MFCD00060327
IUPAC Name:
3-(4-fluorophenyl)propanoic acid
InChI:
InChI=1S/C9H9FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)
InChI Key:
ZMKXWDPUXLPHCA-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(cc1)F
NSC Number:
403021

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:
1.6  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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