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Home Carbonyls 2-Fluoro-4-(methoxycarbonyl)benzoic acid

2-Fluoro-4-(methoxycarbonyl)benzoic acid

CAS No.:
314241-04-8
Catalog Number:
AG00CMR0
Molecular Formula:
C9H7FO4
Molecular Weight:
198.1479
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$125
- +
1g
98%
In Stock USA
United States
$338
- +
5g
98%
In Stock USA
United States
$1338
- +
Product Description
Catalog Number:
AG00CMR0
Chemical Name:
2-Fluoro-4-(methoxycarbonyl)benzoic acid
CAS Number:
314241-04-8
Molecular Formula:
C9H7FO4
Molecular Weight:
198.1479
MDL Number:
MFCD20640446
IUPAC Name:
2-fluoro-4-methoxycarbonylbenzoic acid
InChI:
InChI=1S/C9H7FO4/c1-14-9(13)5-2-3-6(8(11)12)7(10)4-5/h2-4H,1H3,(H,11,12)
InChI Key:
XRXCBKITDLPTEF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)F)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:
1.4  
Literature
Title Journal
2-Fluoro-4-(meth-oxy-carbon-yl)benzoic acid. Acta crystallographica. Section E, Structure reports online 20100901
Properties