Name: Name:t-Butyl 2-cyano-2-(3-nitropyridin-2-yl)acetate
Brand: Angene
SKU: AG000L6T
Rating: 90 (10 reviews)

t-Butyl 2-cyano-2-(3-nitropyridin-2-yl)acetate

CAS No.:

123846-70-8

Catalog Number:

AG000L6T

Molecular Formula:

C12H13N3O4

Molecular Weight:

263.2493

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

95%

In Stock USA

United States

$25

- +

95%

In Stock USA

United States

$75

- +

25g

95%

In Stock USA

United States

$188

- +

100g

95%

In Stock USA

United States

$438

- +

Catalog Number:

AG000L6T

Chemical Name:

t-Butyl 2-cyano-2-(3-nitropyridin-2-yl)acetate

CAS Number:

123846-70-8

Molecular Formula:

C12H13N3O4

Molecular Weight:

263.2493

MDL Number:

MFCD16036632

IUPAC Name:

tert-butyl 2-cyano-2-(3-nitropyridin-2-yl)acetate

InChI:

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

InChI Key:

JMNLJNCYWRHEBL-UHFFFAOYSA-N

SMILES:

N#CC(c1ncccc1[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