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123470-46-2 | 1,2-Benzenediamine, 4,5-difluoro-, hydrochloride (1:2)
CAS No: 123470-46-2 Catalog No: AG000KO2 MDL No:
Product Description
Catalog Number:
AG000KO2
Chemical Name:
1,2-Benzenediamine, 4,5-difluoro-, hydrochloride (1:2)
CAS Number:
123470-46-2
Molecular Formula:
C6H8Cl2F2N2
Molecular Weight:
217.0439
IUPAC Name:
4,5-difluorobenzene-1,2-diamine;dihydrochloride
InChI:
InChI=1S/C6H6F2N2.2ClH/c7-3-1-5(9)6(10)2-4(3)8;;/h1-2H,9-10H2;2*1H
InChI Key:
INASJXRZZRLVPS-UHFFFAOYSA-N
SMILES:
Nc1cc(F)c(cc1N)F.Cl.Cl
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.003g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
217.041g/mol
Monoisotopic Mass:
216.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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