Name: Name:2-(4-Boc-piperazinyl)-2-(2-chlorophenyl)acetic acid
Brand: Angene
SKU: AG00JKJJ
Rating: 90 (10 reviews)

2-(4-Boc-piperazinyl)-2-(2-chlorophenyl)acetic acid

CAS No.:

885272-96-8

Catalog Number:

AG00JKJJ

Molecular Formula:

C17H23ClN2O4

Molecular Weight:

354.8285

Catalog Number:

AG00JKJJ

Chemical Name:

2-(4-Boc-piperazinyl)-2-(2-chlorophenyl)acetic acid

CAS Number:

885272-96-8

Molecular Formula:

C17H23ClN2O4

Molecular Weight:

354.8285

MDL Number:

MFCD06659335

IUPAC Name:

2-(2-chlorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid

InChI:

InChI=1S/C17H23ClN2O4/c1-17(2,3)24-16(23)20-10-8-19(9-11-20)14(15(21)22)12-6-4-5-7-13(12)18/h4-7,14H,8-11H2,1-3H3,(H,21,22)

InChI Key:

NTNWMQLTURQXSB-UHFFFAOYSA-N

SMILES:

O=C(N1CCN(CC1)C(c1ccccc1Cl)C(=O)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:

70.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6