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85862-50-6 | Benzene, 1-azido-3,5-bis(trifluoromethyl)-
CAS No: 85862-50-6 Catalog No: AG004R4L MDL No:
Product Description
Catalog Number:
AG004R4L
Chemical Name:
Benzene, 1-azido-3,5-bis(trifluoromethyl)-
CAS Number:
85862-50-6
Molecular Formula:
C8H3F6N3
Molecular Weight:
255.1199
IUPAC Name:
1-azido-3,5-bis(trifluoromethyl)benzene
InChI:
InChI=1S/C8H3F6N3/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-17-15/h1-3H
InChI Key:
SINHLVVTMGHDAW-UHFFFAOYSA-N
SMILES:
FC(c1cc(cc(c1)C(F)(F)F)N=[N+]=[N-])(F)F
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.123g/mol
Monoisotopic Mass:
255.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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