Home Carbonyls 2-[3-fluoro-4-(methoxycarbonyl)phenyl]acetic acid

2-[3-fluoro-4-(methoxycarbonyl)phenyl]acetic acid

CAS No.:
1324054-60-5
Catalog Number:
AG01BV6O
Molecular Formula:
C10H9FO4
Molecular Weight:
212.1745
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Product Description
Catalog Number:
AG01BV6O
Chemical Name:
2-[3-fluoro-4-(methoxycarbonyl)phenyl]acetic acid
CAS Number:
1324054-60-5
Molecular Formula:
C10H9FO4
Molecular Weight:
212.1745
MDL Number:
MFCD24503549
IUPAC Name:
2-(3-fluoro-4-methoxycarbonylphenyl)acetic acid
InChI:
InChI=1S/C10H9FO4/c1-15-10(14)7-3-2-6(4-8(7)11)5-9(12)13/h2-4H,5H2,1H3,(H,12,13)
InChI Key:
OKKGGXQDKZFZNY-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1F)CC(=O)O
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.048g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.176g/mol
Monoisotopic Mass:
212.048g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties