Name: Name:Benzoic acid, 4-chloro-2-(4-methyl-1-piperazinyl)-
Brand: Angene
SKU: AG000PJR
Rating: 90 (10 reviews)

Benzoic acid, 4-chloro-2-(4-methyl-1-piperazinyl)-

CAS No.:

1197193-44-4

Catalog Number:

AG000PJR

Molecular Formula:

C12H15ClN2O2

Molecular Weight:

254.7127

Catalog Number:

AG000PJR

Chemical Name:

Benzoic acid, 4-chloro-2-(4-methyl-1-piperazinyl)-

CAS Number:

1197193-44-4

Molecular Formula:

C12H15ClN2O2

Molecular Weight:

254.7127

MDL Number:

MFCD13191621

IUPAC Name:

4-chloro-2-(4-methylpiperazin-1-yl)benzoic acid

InChI:

InChI=1S/C12H15ClN2O2/c1-14-4-6-15(7-5-14)11-8-9(13)2-3-10(11)12(16)17/h2-3,8H,4-7H2,1H3,(H,16,17)

InChI Key:

RQOFHWOTPWWXGY-UHFFFAOYSA-N

SMILES:

CN1CCN(CC1)c1cc(Cl)ccc1C(=O)O

Complexity:

280

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.714g/mol

Monoisotopic Mass:

254.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3