Name: Name:Methyl 4-(4-boc-1-piperazinyl)-2-chlorobenzoate
Brand: Angene
SKU: AG003RTL
Rating: 90 (10 reviews)

Methyl 4-(4-boc-1-piperazinyl)-2-chlorobenzoate

CAS No.:

1346597-59-8

Catalog Number:

AG003RTL

Molecular Formula:

C17H23ClN2O4

Molecular Weight:

354.8285

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Catalog Number:

AG003RTL

Chemical Name:

Methyl 4-(4-boc-1-piperazinyl)-2-chlorobenzoate

CAS Number:

1346597-59-8

Molecular Formula:

C17H23ClN2O4

Molecular Weight:

354.8285

MDL Number:

MFCD20491418

IUPAC Name:

tert-butyl 4-(3-chloro-4-methoxycarbonylphenyl)piperazine-1-carboxylate

InChI:

InChI=1S/C17H23ClN2O4/c1-17(2,3)24-16(22)20-9-7-19(8-10-20)12-5-6-13(14(18)11-12)15(21)23-4/h5-6,11H,7-10H2,1-4H3

InChI Key:

SRWURPOERWMOOY-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(cc1Cl)N1CCN(CC1)C(=O)OC(C)(C)C

Complexity:

458

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

354.135g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

354.831g/mol

Monoisotopic Mass:

354.135g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2