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2267-49-4 | 1-(3-Fluorophenyl)biguanide hydrochloride
CAS No: 2267-49-4 Catalog No: AG003CX1 MDL No:MFCD00203529
Product Description
Catalog Number:
AG003CX1
Chemical Name:
1-(3-Fluorophenyl)biguanide hydrochloride
CAS Number:
2267-49-4
Molecular Formula:
C8H11ClFN5
Molecular Weight:
231.6578
MDL Number:
MFCD00203529
IUPAC Name:
1-(diaminomethylidene)-2-(3-fluorophenyl)guanidine;hydrochloride
InChI:
InChI=1S/C8H10FN5.ClH/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H
InChI Key:
IWYOYHXLNBELKJ-UHFFFAOYSA-N
SMILES:
NC(=N)NC(=N)Nc1cccc(c1)F.Cl
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
231.659g/mol
Monoisotopic Mass:
231.069g/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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