Name: Name:Benzoic acid, 3-chloro-4-(1-piperazinyl)-, methyl ester
Brand: Angene
SKU: AG002N4A
Rating: 90 (10 reviews)

Benzoic acid, 3-chloro-4-(1-piperazinyl)-, methyl ester

CAS No.:

234082-16-7

Catalog Number:

AG002N4A

Molecular Formula:

C12H15ClN2O2

Molecular Weight:

254.7127

Catalog Number:

AG002N4A

Chemical Name:

Benzoic acid, 3-chloro-4-(1-piperazinyl)-, methyl ester

CAS Number:

234082-16-7

Molecular Formula:

C12H15ClN2O2

Molecular Weight:

254.7127

MDL Number:

MFCD19442776

IUPAC Name:

methyl 3-chloro-4-piperazin-1-ylbenzoate

InChI:

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

InChI Key:

YXNWWDUBAHLVBO-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(c(c1)Cl)N1CCNCC1

Complexity:

269

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:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9