200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1197193-20-6
1197193-20-6 | Benzoic acid, 4-chloro-2-(1-pyrrolidinyl)-
CAS No: 1197193-20-6 Catalog No: AG000PIW MDL No:MFCD13191618
Product Description
Catalog Number:
AG000PIW
Chemical Name:
Benzoic acid, 4-chloro-2-(1-pyrrolidinyl)-
CAS Number:
1197193-20-6
Molecular Formula:
C11H12ClNO2
Molecular Weight:
225.6715
MDL Number:
MFCD13191618
IUPAC Name:
4-chloro-2-pyrrolidin-1-ylbenzoic acid
InChI:
InChI=1S/C11H12ClNO2/c12-8-3-4-9(11(14)15)10(7-8)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,14,15)
InChI Key:
FJPWBQCGTBCBMX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1N1CCCC1)Cl
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.672g/mol
Monoisotopic Mass:
225.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.