Name: Name:1-Boc-4-(6-chloro-5-nitro-4-pyrimidinyl)piperazine
Brand: Angene
SKU: AG001EZ9
Rating: 90 (10 reviews)

1-Boc-4-(6-chloro-5-nitro-4-pyrimidinyl)piperazine

CAS No.:

147539-23-9

Catalog Number:

AG001EZ9

Molecular Formula:

C13H18ClN5O4

Molecular Weight:

343.7661

Catalog Number:

AG001EZ9

Chemical Name:

1-Boc-4-(6-chloro-5-nitro-4-pyrimidinyl)piperazine

CAS Number:

147539-23-9

Molecular Formula:

C13H18ClN5O4

Molecular Weight:

343.7661

MDL Number:

MFCD11040204

IUPAC Name:

tert-butyl 4-(6-chloro-5-nitropyrimidin-4-yl)piperazine-1-carboxylate

InChI:

InChI=1S/C13H18ClN5O4/c1-13(2,3)23-12(20)18-6-4-17(5-7-18)11-9(19(21)22)10(14)15-8-16-11/h8H,4-7H2,1-3H3

InChI Key:

SIEVKGIBOLXNCK-UHFFFAOYSA-N

SMILES:

O=C(N1CCN(CC1)c1ncnc(c1[N+](=O)[O-])Cl)OC(C)(C)C

Complexity:

445

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

343.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

343.768g/mol

Monoisotopic Mass:

343.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1