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21703-08-2 | 1-(3,4-Dichlorophenyl)biguanide hydrochloride
CAS No: 21703-08-2 Catalog No: AG003CVV MDL No:MFCD00173791
Product Description
Catalog Number:
AG003CVV
Chemical Name:
1-(3,4-Dichlorophenyl)biguanide hydrochloride
CAS Number:
21703-08-2
Molecular Formula:
C8H10Cl3N5
Molecular Weight:
282.5575
MDL Number:
MFCD00173791
IUPAC Name:
1-(diaminomethylidene)-2-(3,4-dichlorophenyl)guanidine;hydrochloride
InChI:
InChI=1S/C8H9Cl2N5.ClH/c9-5-2-1-4(3-6(5)10)14-8(13)15-7(11)12;/h1-3H,(H6,11,12,13,14,15);1H
InChI Key:
AMMSXYWPWHREDJ-UHFFFAOYSA-N
SMILES:
NC(=N)NC(=N)Nc1ccc(c(c1)Cl)Cl.Cl
NSC Number:
526876
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
282.553g/mol
Monoisotopic Mass:
281g/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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