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Home > Nitro Compounds > 546083-14-1
546083-14-1 | 2-[4-(4-nitrobenzoyl)piperazin-1-yl]pyrimidine
CAS No: 546083-14-1 Catalog No: AG00IQDO MDL No:MFCD00860994
Product Description
Catalog Number:
AG00IQDO
Chemical Name:
2-[4-(4-nitrobenzoyl)piperazin-1-yl]pyrimidine
CAS Number:
546083-14-1
Molecular Formula:
C15H15N5O3
Molecular Weight:
313.3113
MDL Number:
MFCD00860994
IUPAC Name:
(4-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
InChI:
InChI=1S/C15H15N5O3/c21-14(12-2-4-13(5-3-12)20(22)23)18-8-10-19(11-9-18)15-16-6-1-7-17-15/h1-7H,8-11H2
InChI Key:
NYJNVZXYNPDHLE-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)c1ncccn1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.117g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.317g/mol
Monoisotopic Mass:
313.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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