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Home > Nitro Compounds > 866041-29-4
866041-29-4 | N-{5H-chromeno[4,3-d]pyrimidin-2-yl}-3-nitrobenzamide
CAS No: 866041-29-4 Catalog No: AG00IR2E MDL No:MFCD04125748
Product Description
Catalog Number:
AG00IR2E
Chemical Name:
N-{5H-chromeno[4,3-d]pyrimidin-2-yl}-3-nitrobenzamide
CAS Number:
866041-29-4
Molecular Formula:
C18H12N4O4
Molecular Weight:
348.3123
MDL Number:
MFCD04125748
IUPAC Name:
N-(5H-chromeno[4,3-d]pyrimidin-2-yl)-3-nitrobenzamide
InChI:
InChI=1S/C18H12N4O4/c23-17(11-4-3-5-13(8-11)22(24)25)21-18-19-9-12-10-26-15-7-2-1-6-14(15)16(12)20-18/h1-9H,10H2,(H,19,20,21,23)
InChI Key:
UQVRJKYFBSLIDZ-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])Nc1ncc2c(n1)c1ccccc1OC2
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.086g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.318g/mol
Monoisotopic Mass:
348.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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