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168966-54-9 | 1,2-Benzenediamine, 3,4,5-trifluoro-
CAS No: 168966-54-9 Catalog No: AG001YF1 MDL No:MFCD01569524
Product Description
Catalog Number:
AG001YF1
Chemical Name:
1,2-Benzenediamine, 3,4,5-trifluoro-
CAS Number:
168966-54-9
Molecular Formula:
C6H5F3N2
Molecular Weight:
162.1125
MDL Number:
MFCD01569524
IUPAC Name:
3,4,5-trifluorobenzene-1,2-diamine
InChI:
InChI=1S/C6H5F3N2/c7-2-1-3(10)6(11)5(9)4(2)8/h1H,10-11H2
InChI Key:
WWDBSPRMQHYOOQ-UHFFFAOYSA-N
SMILES:
Nc1cc(F)c(c(c1N)F)F
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.115g/mol
Monoisotopic Mass:
162.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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