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4022-81-5 | 1-(4-Chlorophenyl)biguanide hydrochloride
CAS No: 4022-81-5 Catalog No: AG003CZ0 MDL No:MFCD00053020
Product Description
Catalog Number:
AG003CZ0
Chemical Name:
1-(4-Chlorophenyl)biguanide hydrochloride
CAS Number:
4022-81-5
Molecular Formula:
C8H11Cl2N5
Molecular Weight:
248.1124
MDL Number:
MFCD00053020
IUPAC Name:
2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride
InChI:
InChI=1S/C8H10ClN5.ClH/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H
InChI Key:
NAFSLMFLGYXGIF-UHFFFAOYSA-N
SMILES:
N=C(Nc1ccc(cc1)Cl)NC(=N)N.Cl
NSC Number:
79310
Properties
Complexity:
238
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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