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66088-52-6 | 1-{[{[amino(imino)methyl]amino}(imino)methyl] amino}-2,4-difluorobenzene hydrochloride
CAS No: 66088-52-6 Catalog No: AG003DTJ MDL No:MFCD00053015
Product Description
Catalog Number:
AG003DTJ
Chemical Name:
1-{[{[amino(imino)methyl]amino}(imino)methyl] amino}-2,4-difluorobenzene hydrochloride
CAS Number:
66088-52-6
Molecular Formula:
C8H10ClF2N5
Molecular Weight:
249.6483
MDL Number:
MFCD00053015
IUPAC Name:
1-(diaminomethylidene)-2-(2,4-difluorophenyl)guanidine;hydrochloride
InChI:
InChI=1S/C8H9F2N5.ClH/c9-4-1-2-6(5(10)3-4)14-8(13)15-7(11)12;/h1-3H,(H6,11,12,13,14,15);1H
InChI Key:
XIUCHDFQXPAMQP-UHFFFAOYSA-N
SMILES:
NC(=N)NC(=N)Nc1ccc(cc1F)F.Cl
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
249.65g/mol
Monoisotopic Mass:
249.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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