Home Carbonyls 3-Fluoro-5-(methoxycarbonyl)benzoic acid

3-Fluoro-5-(methoxycarbonyl)benzoic acid

CAS No.:
660416-36-4
Catalog Number:
AG003JGJ
Molecular Formula:
C9H7FO4
Molecular Weight:
198.1479
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥95%
In Stock USA
United States
$429
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Product Description
Catalog Number:
AG003JGJ
Chemical Name:
3-Fluoro-5-(methoxycarbonyl)benzoic acid
CAS Number:
660416-36-4
Molecular Formula:
C9H7FO4
Molecular Weight:
198.1479
MDL Number:
MFCD08458981
IUPAC Name:
3-fluoro-5-methoxycarbonylbenzoic acid
InChI:
InChI=1S/C9H7FO4/c1-14-9(13)6-2-5(8(11)12)3-7(10)4-6/h2-4H,1H3,(H,11,12)
InChI Key:
SFUQWJIUIYAPDJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)cc(c1)C(=O)O
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.033g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.149g/mol
Monoisotopic Mass:
198.033g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties