Home Other Building Blocks 1-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine hydrochloride

1-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine hydrochloride

CAS No.:
1803587-42-9
Catalog Number:
AG01BERJ
Molecular Formula:
C8H8ClF4N3
Molecular Weight:
257.6158
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Product Description
Catalog Number:
AG01BERJ
Chemical Name:
1-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine hydrochloride
CAS Number:
1803587-42-9
Molecular Formula:
C8H8ClF4N3
Molecular Weight:
257.6158
MDL Number:
MFCD28118407
IUPAC Name:
2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine;hydrochloride
InChI:
InChI=1S/C8H7F4N3.ClH/c9-5-2-1-4(8(10,11)12)3-6(5)15-7(13)14;/h1-3H,(H4,13,14,15);1H
InChI Key:
DUNZODJQZQXNRH-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1cc(ccc1F)C(F)(F)F.Cl
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.034g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
257.617g/mol
Monoisotopic Mass:
257.034g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties