Home Carboxys 3-Fluoro-5-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

3-Fluoro-5-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

CAS No.:
1092348-21-4
Catalog Number:
AG00HBC6
Molecular Formula:
C11H9FO3
Molecular Weight:
208.1858
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Product Description
Catalog Number:
AG00HBC6
Chemical Name:
3-Fluoro-5-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CAS Number:
1092348-21-4
Molecular Formula:
C11H9FO3
Molecular Weight:
208.1858
MDL Number:
MFCD11518798
IUPAC Name:
3-fluoro-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxylic acid
InChI:
InChI=1S/C11H9FO3/c12-9-5-7-6(2-1-3-10(7)13)4-8(9)11(14)15/h4-5H,1-3H2,(H,14,15)
InChI Key:
RBNZZVKHQPYOGE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2CCCC(=O)c2cc1F
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.054g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.188g/mol
Monoisotopic Mass:
208.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties