Name: Name:Trans-N-Boc-2-(4-chlorophenyl)-3-(isopropylamino) acrylic acid
Brand: Angene
SKU: AG00ASSK
Rating: 90 (10 reviews)

Trans-N-Boc-2-(4-chlorophenyl)-3-(isopropylamino) acrylic acid

CAS No.:

1489004-27-4

Catalog Number:

AG00ASSK

Molecular Formula:

C17H22ClNO4

Molecular Weight:

339.8139

Catalog Number:

AG00ASSK

Chemical Name:

Trans-N-Boc-2-(4-chlorophenyl)-3-(isopropylamino) acrylic acid

CAS Number:

1489004-27-4

Molecular Formula:

C17H22ClNO4

Molecular Weight:

339.8139

MDL Number:

MFCD29078977

IUPAC Name:

(E)-2-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]prop-2-enoic acid

InChI:

InChI=1S/C17H22ClNO4/c1-11(2)19(16(22)23-17(3,4)5)10-14(15(20)21)12-6-8-13(18)9-7-12/h6-11H,1-5H3,(H,20,21)/b14-10+

InChI Key:

FWJNZDBWTJMHDD-GXDHUFHOSA-N

SMILES:

CC(N(C(=O)OC(C)(C)C)/C=C(\c1ccc(cc1)Cl)/C(=O)O)C

Complexity:

460

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

339.124g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

339.816g/mol

Monoisotopic Mass:

339.124g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8