Home Other Building Blocks phenyl[2-(trifluoromethyl)-1H-1,3-benzodiazol-6-yl]methanamine hydrochloride

phenyl[2-(trifluoromethyl)-1H-1,3-benzodiazol-6-yl]methanamine hydrochloride

CAS No.:
1169986-27-9
Catalog Number:
AG019M85
Molecular Formula:
C15H13ClF3N3
Molecular Weight:
327.7320
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Product Description
Catalog Number:
AG019M85
Chemical Name:
phenyl[2-(trifluoromethyl)-1H-1,3-benzodiazol-6-yl]methanamine hydrochloride
CAS Number:
1169986-27-9
Molecular Formula:
C15H13ClF3N3
Molecular Weight:
327.7320
MDL Number:
MFCD09343175
IUPAC Name:
phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanamine;hydrochloride
InChI:
InChI=1S/C15H12F3N3.ClH/c16-15(17,18)14-20-11-7-6-10(8-12(11)21-14)13(19)9-4-2-1-3-5-9;/h1-8,13H,19H2,(H,20,21);1H
InChI Key:
YKRPDBLOUDOUCZ-UHFFFAOYSA-N
SMILES:
NC(c1ccc2c(c1)[nH]c(n2)C(F)(F)F)c1ccccc1.Cl
Properties
Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.075g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
327.735g/mol
Monoisotopic Mass:
327.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties