Name: Name:tert-butyl 1,2,3,4-tetrahydrophthalazine-2-carboxylate
Brand: Angene
SKU: AG01BXQ8
Rating: 90 (10 reviews)

tert-butyl 1,2,3,4-tetrahydrophthalazine-2-carboxylate

CAS No.:

154972-21-1

Catalog Number:

AG01BXQ8

Molecular Formula:

C13H18N2O2

Molecular Weight:

234.2942

Catalog Number:

AG01BXQ8

Chemical Name:

tert-butyl 1,2,3,4-tetrahydrophthalazine-2-carboxylate

CAS Number:

154972-21-1

Molecular Formula:

C13H18N2O2

Molecular Weight:

234.2942

MDL Number:

MFCD24468352

IUPAC Name:

tert-butyl 3,4-dihydro-1H-phthalazine-2-carboxylate

InChI:

InChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-9-11-7-5-4-6-10(11)8-14-15/h4-7,14H,8-9H2,1-3H3

InChI Key:

FULUIUKVVTWQCX-UHFFFAOYSA-N

SMILES:

O=C(N1NCc2c(C1)cccc2)OC(C)(C)C

Complexity:

286

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.299g/mol

Monoisotopic Mass:

234.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9