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Home > Fluorides > 1197193-14-8
1197193-14-8 | Benzoic acid, 2-fluoro-4-(1-pyrrolidinyl)-
CAS No: 1197193-14-8 Catalog No: AG000PJ0 MDL No:MFCD13191611
Product Description
Catalog Number:
AG000PJ0
Chemical Name:
Benzoic acid, 2-fluoro-4-(1-pyrrolidinyl)-
CAS Number:
1197193-14-8
Molecular Formula:
C11H12FNO2
Molecular Weight:
209.2169
MDL Number:
MFCD13191611
IUPAC Name:
2-fluoro-4-pyrrolidin-1-ylbenzoic acid
InChI:
InChI=1S/C11H12FNO2/c12-10-7-8(13-5-1-2-6-13)3-4-9(10)11(14)15/h3-4,7H,1-2,5-6H2,(H,14,15)
InChI Key:
PMGPRXDYEZSZHN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1F)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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