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Home > Fluorides > 210107-37-2
210107-37-2 | Diaziridine, 3-(4-iodophenyl)-3-(trifluoromethyl)-
CAS No: 210107-37-2 Catalog No: AG002KL9 MDL No:
Product Description
Catalog Number:
AG002KL9
Chemical Name:
Diaziridine, 3-(4-iodophenyl)-3-(trifluoromethyl)-
CAS Number:
210107-37-2
Molecular Formula:
C8H6F3IN2
Molecular Weight:
314.0463
IUPAC Name:
3-(4-iodophenyl)-3-(trifluoromethyl)diaziridine
InChI:
InChI=1S/C8H6F3IN2/c9-8(10,11)7(13-14-7)5-1-3-6(12)4-2-5/h1-4,13-14H
InChI Key:
XCVXREJBRDXQNH-UHFFFAOYSA-N
SMILES:
FC(C1(NN1)c1ccc(cc1)I)(F)F
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.953g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.05g/mol
Monoisotopic Mass:
313.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| ATP-competitive inhibitors of the mitotic kinesin KSP that function via an allosteric mechanism. | Nature chemical biology 20071101 |
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