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132942-81-5 | 1,2-Benzenediamine, 4-chloro-5-fluoro-, hydrochloride (1:2)
CAS No: 132942-81-5 Catalog No: AG0011F8 MDL No:MFCD23701499
Product Description
Catalog Number:
AG0011F8
Chemical Name:
1,2-Benzenediamine, 4-chloro-5-fluoro-, hydrochloride (1:2)
CAS Number:
132942-81-5
Molecular Formula:
C6H8Cl3FN2
Molecular Weight:
233.4985
MDL Number:
MFCD23701499
IUPAC Name:
4-chloro-5-fluorobenzene-1,2-diamine;dihydrochloride
InChI:
InChI=1S/C6H6ClFN2.2ClH/c7-3-1-5(9)6(10)2-4(3)8;;/h1-2H,9-10H2;2*1H
InChI Key:
AOOCMQJLTMEFLR-UHFFFAOYSA-N
SMILES:
Nc1cc(Cl)c(cc1N)F.Cl.Cl
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
233.492g/mol
Monoisotopic Mass:
231.974g/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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