Name: Name:1,3-diethyl 2-ethyl-2-[(4-nitrophenyl)methyl]propanedioate
Brand: Angene
SKU: AG01A6DF
Rating: 90 (10 reviews)

1,3-diethyl 2-ethyl-2-[(4-nitrophenyl)methyl]propanedioate

CAS No.:

1461708-45-1

Catalog Number:

AG01A6DF

Molecular Formula:

C16H21NO6

Molecular Weight:

323.3410

Catalog Number:

AG01A6DF

Chemical Name:

1,3-diethyl 2-ethyl-2-[(4-nitrophenyl)methyl]propanedioate

CAS Number:

1461708-45-1

Molecular Formula:

C16H21NO6

Molecular Weight:

323.3410

MDL Number:

MFCD25970307

IUPAC Name:

diethyl 2-ethyl-2-[(4-nitrophenyl)methyl]propanedioate

InChI:

InChI=1S/C16H21NO6/c1-4-16(14(18)22-5-2,15(19)23-6-3)11-12-7-9-13(10-8-12)17(20)21/h7-10H,4-6,11H2,1-3H3

InChI Key:

NPVAMWCFKHMYMA-UHFFFAOYSA-N

SMILES:

CCC(C(=O)OCC)(C(=O)OCC)Cc1ccc(cc1)[N+](=O)[O-]

Complexity:

405

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

323.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

323.345g/mol

Monoisotopic Mass:

323.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

98.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4