Name: Name:TERT-BUTYL 4-(4-NITROBENZOYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
Brand: Angene
SKU: AG006VD8
Rating: 90 (10 reviews)

TERT-BUTYL 4-(4-NITROBENZOYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE

CAS No.:

509073-62-5

Catalog Number:

AG006VD8

Molecular Formula:

C16H21N3O5

Molecular Weight:

335.3550

Catalog Number:

AG006VD8

Chemical Name:

TERT-BUTYL 4-(4-NITROBENZOYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE

CAS Number:

509073-62-5

Molecular Formula:

C16H21N3O5

Molecular Weight:

335.3550

MDL Number:

MFCD06659593

IUPAC Name:

tert-butyl 4-(4-nitrobenzoyl)piperazine-1-carboxylate

InChI:

InChI=1S/C16H21N3O5/c1-16(2,3)24-15(21)18-10-8-17(9-11-18)14(20)12-4-6-13(7-5-12)19(22)23/h4-7H,8-11H2,1-3H3

InChI Key:

XHGPWZQBCGONPX-UHFFFAOYSA-N

SMILES:

O=C(c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)C(=O)OC(C)(C)C

Complexity:

481

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

335.148g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

335.36g/mol

Monoisotopic Mass:

335.148g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9