Home Other Building Blocks 3-carbamoyl-2-fluorobenzoic acid

3-carbamoyl-2-fluorobenzoic acid

CAS No.:
1781679-45-5
Catalog Number:
AG01BI02
Molecular Formula:
C8H6FNO3
Molecular Weight:
183.1365
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Product Description
Catalog Number:
AG01BI02
Chemical Name:
3-carbamoyl-2-fluorobenzoic acid
CAS Number:
1781679-45-5
Molecular Formula:
C8H6FNO3
Molecular Weight:
183.1365
MDL Number:
MFCD30750122
IUPAC Name:
3-carbamoyl-2-fluorobenzoic acid
InChI:
InChI=1S/C8H6FNO3/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,(H2,10,11)(H,12,13)
InChI Key:
CGYVUBOFZHZZKX-UHFFFAOYSA-N
SMILES:
NC(=O)c1cccc(c1F)C(=O)O
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.033g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
183.138g/mol
Monoisotopic Mass:
183.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties