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Home > Fluorides > 875314-84-4
875314-84-4 | 3H-Diazirine, 3-[4-(azidomethyl)-3-methoxyphenyl]-3-(trifluoromethyl)-
CAS No: 875314-84-4 Catalog No: AG004F6A MDL No:
Product Description
Catalog Number:
AG004F6A
Chemical Name:
3H-Diazirine, 3-[4-(azidomethyl)-3-methoxyphenyl]-3-(trifluoromethyl)-
CAS Number:
875314-84-4
Molecular Formula:
C10H8F3N5O
Molecular Weight:
271.1986
IUPAC Name:
3-[4-(azidomethyl)-3-methoxyphenyl]-3-(trifluoromethyl)diazirine
InChI:
InChI=1S/C10H8F3N5O/c1-19-8-4-7(3-2-6(8)5-15-18-14)9(16-17-9)10(11,12)13/h2-4H,5H2,1H3
InChI Key:
CYFXQTATDCSDTA-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCc1ccc(cc1OC)C1(N=N1)C(F)(F)F
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.203g/mol
Monoisotopic Mass:
271.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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