Name: Name:Propanedioic acid, 2-(1H-benzotriazol-1-ylimino)-, 1,3-diethyl ester
Brand: Angene
SKU: AG0002W6
Rating: 90 (10 reviews)

Propanedioic acid, 2-(1H-benzotriazol-1-ylimino)-, 1,3-diethyl ester

CAS No.:

100796-79-0

Catalog Number:

AG0002W6

Molecular Formula:

C13H14N4O4

Molecular Weight:

290.2747

Catalog Number:

AG0002W6

Chemical Name:

Propanedioic acid, 2-(1H-benzotriazol-1-ylimino)-, 1,3-diethyl ester

CAS Number:

100796-79-0

Molecular Formula:

C13H14N4O4

Molecular Weight:

290.2747

IUPAC Name:

diethyl 2-(benzotriazol-1-ylimino)propanedioate

InChI:

InChI=1S/C13H14N4O4/c1-3-20-12(18)11(13(19)21-4-2)15-17-10-8-6-5-7-9(10)14-16-17/h5-8H,3-4H2,1-2H3

InChI Key:

HQLKNISWSLQKRF-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(=Nn1nnc2c1cccc2)C(=O)OCC

Complexity:

406

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

290.102g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

290.279g/mol

Monoisotopic Mass:

290.102g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5