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19579-44-3 | 1-(2-Chlorophenyl)biguanide hydrochloride
CAS No: 19579-44-3 Catalog No: AG003CTW MDL No:MFCD00053016
Product Description
Catalog Number:
AG003CTW
Chemical Name:
1-(2-Chlorophenyl)biguanide hydrochloride
CAS Number:
19579-44-3
Molecular Formula:
C8H11Cl2N5
Molecular Weight:
248.1124
MDL Number:
MFCD00053016
IUPAC Name:
2-(2-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride
InChI:
InChI=1S/C8H10ClN5.ClH/c9-5-3-1-2-4-6(5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H
InChI Key:
KWAQGQJGFPOSRH-UHFFFAOYSA-N
SMILES:
NC(=N)NC(=N)Nc1ccccc1Cl.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:
247.039g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
248.111g/mol
Monoisotopic Mass:
247.039g/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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