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Home > Fluorides > 114310-96-2
114310-96-2 | 1-Triazene, 1-phenyl-3-(trifluoromethyl)-, (E)- (9CI)
CAS No: 114310-96-2 Catalog No: AG000B2D MDL No:
Product Description
Catalog Number:
AG000B2D
Chemical Name:
1-Triazene, 1-phenyl-3-(trifluoromethyl)-, (E)- (9CI)
CAS Number:
114310-96-2
Molecular Formula:
C7H6F3N3
Molecular Weight:
189.1378
IUPAC Name:
N-(trifluoromethyldiazenyl)aniline
InChI:
InChI=1S/C7H6F3N3/c8-7(9,10)12-13-11-6-4-2-1-3-5-6/h1-5H,(H,11,12)
InChI Key:
CQPBANBUQAKQDA-UHFFFAOYSA-N
SMILES:
FC(N/N=N/c1ccccc1)(F)F
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.141g/mol
Monoisotopic Mass:
189.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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