Name: Name:tert-butyl 2-cyano-2-(5-nitropyridin-2-yl)acetate
Brand: Angene
SKU: AG00GUDO
Rating: 90 (10 reviews)

tert-butyl 2-cyano-2-(5-nitropyridin-2-yl)acetate

CAS No.:

914223-27-1

Catalog Number:

AG00GUDO

Molecular Formula:

C12H13N3O4

Molecular Weight:

263.2493

Catalog Number:

AG00GUDO

Chemical Name:

tert-butyl 2-cyano-2-(5-nitropyridin-2-yl)acetate

CAS Number:

914223-27-1

Molecular Formula:

C12H13N3O4

Molecular Weight:

263.2493

MDL Number:

MFCD09033813

IUPAC Name:

tert-butyl 2-cyano-2-(5-nitropyridin-2-yl)acetate

InChI:

InChI=1S/C12H13N3O4/c1-12(2,3)19-11(16)9(6-13)10-5-4-8(7-14-10)15(17)18/h4-5,7,9H,1-3H3

InChI Key:

BQWLVUZTOGLWIG-UHFFFAOYSA-N

SMILES:

N#CC(c1ccc(cn1)[N+](=O)[O-])C(=O)OC(C)(C)C

Complexity:

401

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

263.091g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

263.253g/mol

Monoisotopic Mass:

263.091g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

109A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5