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Home > Fluorides > 1096304-38-9
1096304-38-9 | 5-Fluoro-2-(pyrrolidin-1-yl);benzoic acid
CAS No: 1096304-38-9 Catalog No: AG003MRD MDL No:MFCD11639773
Product Description
Catalog Number:
AG003MRD
Chemical Name:
5-Fluoro-2-(pyrrolidin-1-yl);benzoic acid
CAS Number:
1096304-38-9
Molecular Formula:
C11H12FNO2
Molecular Weight:
209.2169
MDL Number:
MFCD11639773
IUPAC Name:
5-fluoro-2-pyrrolidin-1-ylbenzoic acid
InChI:
InChI=1S/C11H12FNO2/c12-8-3-4-10(9(7-8)11(14)15)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,14,15)
InChI Key:
QKGQROQKQSTVAK-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)O)N1CCCC1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.22g/mol
Monoisotopic Mass:
209.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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