Home Other Building Blocks 2-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-5-amine dihydrochloride

2-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-5-amine dihydrochloride

CAS No.:
1864061-46-0
Catalog Number:
AG01ANEE
Molecular Formula:
C14H14Cl2FN3
Molecular Weight:
314.1855
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Product Description
Catalog Number:
AG01ANEE
Chemical Name:
2-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-5-amine dihydrochloride
CAS Number:
1864061-46-0
Molecular Formula:
C14H14Cl2FN3
Molecular Weight:
314.1855
MDL Number:
MFCD29034241
IUPAC Name:
2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-amine;dihydrochloride
InChI:
InChI=1S/C14H12FN3.2ClH/c15-10-3-1-9(2-4-10)7-14-17-12-6-5-11(16)8-13(12)18-14;;/h1-6,8H,7,16H2,(H,17,18);2*1H
InChI Key:
CXKHMOOVJHKCJZ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Cc1nc2c([nH]1)ccc(c2)N.Cl.Cl
Properties
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.055g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
314.185g/mol
Monoisotopic Mass:
313.055g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties