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4460-32-6 | diiodobenzotepa
CAS No: 4460-32-6 Catalog No: AG00DU95 MDL No:
Product Description
Catalog Number:
AG00DU95
Chemical Name:
diiodobenzotepa
CAS Number:
4460-32-6
IUPAC Name:
N-[bis(aziridin-1-yl)phosphoryl]-2,5-diiodobenzamide
InChI:
InChI=1S/C11H12I2N3O2P/c12-8-1-2-10(13)9(7-8)11(17)14-19(18,15-3-4-15)16-5-6-16/h1-2,7H,3-6H2,(H,14,17,18)
InChI Key:
BFKKCDNAUZMDOX-UHFFFAOYSA-N
NSC Number:
167781
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
502.876g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
503.019g/mol
Monoisotopic Mass:
502.876g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors. | Journal of medicinal chemistry 20081113 |
| 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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