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117113-33-4 | 3H-Diazirine, 3-bromo-3-(trifluoromethyl)-
CAS No: 117113-33-4 Catalog No: AG000DRH MDL No:
Product Description
Catalog Number:
AG000DRH
Chemical Name:
3H-Diazirine, 3-bromo-3-(trifluoromethyl)-
CAS Number:
117113-33-4
Molecular Formula:
C2BrF3N2
Molecular Weight:
188.9340
IUPAC Name:
3-bromo-3-(trifluoromethyl)diazirine
InChI:
InChI=1S/C2BrF3N2/c3-1(7-8-1)2(4,5)6
InChI Key:
SBTCLUTTYIKSTD-UHFFFAOYSA-N
SMILES:
FC(C1(Br)N=N1)(F)F
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.92g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.935g/mol
Monoisotopic Mass:
187.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Halogenated diazirines as photolabel mimics of the inhaled haloalkane anesthetics. | Journal of medicinal chemistry 20020425 |
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