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83684-74-6 | 2-Carbamoyl-3-fluorobenzoic acid
CAS No: 83684-74-6 Catalog No: AG004TKF MDL No:
Product Description
Catalog Number:
AG004TKF
Chemical Name:
2-Carbamoyl-3-fluorobenzoic acid
CAS Number:
83684-74-6
Molecular Formula:
C8H6FNO3
Molecular Weight:
183.1365
IUPAC Name:
2-carbamoyl-3-fluorobenzoic acid
InChI:
InChI=1S/C8H6FNO3/c9-5-3-1-2-4(8(12)13)6(5)7(10)11/h1-3H,(H2,10,11)(H,12,13)
InChI Key:
HRAQABLUEHTRHN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1C(=O)N)F
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:
0.6
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