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1313012-28-0 | 1,2-Benzenediamine, 4-[(trifluoromethyl)thio]-, hydrochloride (1:2)
CAS No: 1313012-28-0 Catalog No: AG000VW5 MDL No:MFCD23099565
Product Description
Catalog Number:
AG000VW5
Chemical Name:
1,2-Benzenediamine, 4-[(trifluoromethyl)thio]-, hydrochloride (1:2)
CAS Number:
1313012-28-0
Molecular Formula:
C7H9Cl2F3N2S
Molecular Weight:
281.1260
MDL Number:
MFCD23099565
IUPAC Name:
4-(trifluoromethylsulfanyl)benzene-1,2-diamine;dihydrochloride
InChI:
InChI=1S/C7H7F3N2S.2ClH/c8-7(9,10)13-4-1-2-5(11)6(12)3-4;;/h1-3H,11-12H2;2*1H
InChI Key:
YPVPAPUNFXTHPC-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1N)SC(F)(F)F.Cl.Cl
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.982g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
281.118g/mol
Monoisotopic Mass:
279.982g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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