Name: Name:tert-butyl 2-(4-acetyl-1H-1,2,3-triazol-1-yl)acetate
Brand: Angene
SKU: AG01C19L
Rating: 90 (10 reviews)

tert-butyl 2-(4-acetyl-1H-1,2,3-triazol-1-yl)acetate

CAS No.:

1864058-47-8

Catalog Number:

AG01C19L

Molecular Formula:

C10H15N3O3

Molecular Weight:

225.2444

Catalog Number:

AG01C19L

Chemical Name:

tert-butyl 2-(4-acetyl-1H-1,2,3-triazol-1-yl)acetate

CAS Number:

1864058-47-8

Molecular Formula:

C10H15N3O3

Molecular Weight:

225.2444

MDL Number:

MFCD29041330

IUPAC Name:

tert-butyl 2-(4-acetyltriazol-1-yl)acetate

InChI:

InChI=1S/C10H15N3O3/c1-7(14)8-5-13(12-11-8)6-9(15)16-10(2,3)4/h5H,6H2,1-4H3

InChI Key:

XOCUBGYORRSZJU-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)Cn1nnc(c1)C(=O)C

Complexity:

286

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.248g/mol

Monoisotopic Mass:

225.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7