Home Carbonyls 3-fluoro-4-(methoxycarbonyl)benzoic acid

3-fluoro-4-(methoxycarbonyl)benzoic acid

CAS No.:
161796-11-8
Catalog Number:
AG01A17X
Molecular Formula:
C9H7FO4
Molecular Weight:
198.1479
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Product Description
Catalog Number:
AG01A17X
Chemical Name:
3-fluoro-4-(methoxycarbonyl)benzoic acid
CAS Number:
161796-11-8
Molecular Formula:
C9H7FO4
Molecular Weight:
198.1479
MDL Number:
MFCD20639684
IUPAC Name:
3-fluoro-4-methoxycarbonylbenzoic acid
InChI:
InChI=1S/C9H7FO4/c1-14-9(13)6-3-2-5(8(11)12)4-7(6)10/h2-4H,1H3,(H,11,12)
InChI Key:
BHCZVQVKEQQOAN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1F)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:
2.4  
Properties