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851086-24-3 | 1,3-Benzenediamine, 4-[[4-(trifluoromethyl)phenyl]azo]-
CAS No: 851086-24-3 Catalog No: AG004REC MDL No:
Product Description
Catalog Number:
AG004REC
Chemical Name:
1,3-Benzenediamine, 4-[[4-(trifluoromethyl)phenyl]azo]-
CAS Number:
851086-24-3
Molecular Formula:
C13H11F3N4
Molecular Weight:
280.2484
IUPAC Name:
4-[[4-(trifluoromethyl)phenyl]diazenyl]benzene-1,3-diamine
InChI:
InChI=1S/C13H11F3N4/c14-13(15,16)8-1-4-10(5-2-8)19-20-12-6-3-9(17)7-11(12)18/h1-7H,17-18H2
InChI Key:
OHEZKXWFMRBODU-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)N)N=Nc1ccc(cc1)C(F)(F)F
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.254g/mol
Monoisotopic Mass:
280.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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