200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1021243-16-2
1021243-16-2 | Benzoic acid, 3-fluoro-4-(1-pyrrolidinyl)-
CAS No: 1021243-16-2 Catalog No: AG0006O4 MDL No:MFCD11156505
Product Description
Catalog Number:
AG0006O4
Chemical Name:
Benzoic acid, 3-fluoro-4-(1-pyrrolidinyl)-
CAS Number:
1021243-16-2
Molecular Formula:
C11H12FNO2
Molecular Weight:
209.2169
MDL Number:
MFCD11156505
IUPAC Name:
3-fluoro-4-pyrrolidin-1-ylbenzoic acid
InChI:
InChI=1S/C11H12FNO2/c12-9-7-8(11(14)15)3-4-10(9)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,14,15)
InChI Key:
HXPJLYBFMBIXKY-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1N1CCCC1)C(=O)O
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.