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1197193-06-8 | Benzoic acid, 3-chloro-4-(1-piperazinyl)-
CAS No: 1197193-06-8 Catalog No: AG000PJ7 MDL No:MFCD13191624
Product Description
Catalog Number:
AG000PJ7
Chemical Name:
Benzoic acid, 3-chloro-4-(1-piperazinyl)-
CAS Number:
1197193-06-8
Molecular Formula:
C11H13ClN2O2
Molecular Weight:
240.6861
MDL Number:
MFCD13191624
IUPAC Name:
3-chloro-4-piperazin-1-ylbenzoic acid
InChI:
InChI=1S/C11H13ClN2O2/c12-9-7-8(11(15)16)1-2-10(9)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2,(H,15,16)
InChI Key:
IXUFWLAEWINGMN-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1N1CCNCC1)C(=O)O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.687g/mol
Monoisotopic Mass:
240.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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