Name: Name:3-fluoro-4-{[2-(pyrrolidin-1-yl)ethyl]amino}benzoic acid hydrochloride
Brand: Angene
SKU: AG01BXN4
Rating: 90 (10 reviews)

3-fluoro-4-{[2-(pyrrolidin-1-yl)ethyl]amino}benzoic acid hydrochloride

CAS No.:

2044837-71-8

Catalog Number:

AG01BXN4

Molecular Formula:

C13H18ClFN2O2

Molecular Weight:

288.7456

Catalog Number:

AG01BXN4

Chemical Name:

3-fluoro-4-{[2-(pyrrolidin-1-yl)ethyl]amino}benzoic acid hydrochloride

CAS Number:

2044837-71-8

Molecular Formula:

C13H18ClFN2O2

Molecular Weight:

288.7456

MDL Number:

MFCD30487882

IUPAC Name:

3-fluoro-4-(2-pyrrolidin-1-ylethylamino)benzoic acid;hydrochloride

InChI:

InChI=1S/C13H17FN2O2.ClH/c14-11-9-10(13(17)18)3-4-12(11)15-5-8-16-6-1-2-7-16;/h3-4,9,15H,1-2,5-8H2,(H,17,18);1H

InChI Key:

URDSCQOIHVJGRQ-UHFFFAOYSA-N

SMILES:

Fc1cc(ccc1NCCN1CCCC1)C(=O)O.Cl

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

288.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

288.747g/mol

Monoisotopic Mass:

288.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: