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1778734-53-4 | "1-[1-methyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]methanamine dihydrochloride"
CAS No: 1778734-53-4 Catalog No: AG01FM34 MDL No:MFCD28897158
Product Description
Catalog Number:
AG01FM34
Chemical Name:
"1-[1-methyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]methanamine dihydrochloride"
CAS Number:
1778734-53-4
Molecular Formula:
C10H12Cl2F3N3
Molecular Weight:
302.1236
MDL Number:
MFCD28897158
IUPAC Name:
[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methanamine;dihydrochloride
InChI:
InChI=1S/C10H10F3N3.2ClH/c1-16-8-3-2-6(10(11,12)13)4-7(8)15-9(16)5-14;;/h2-4H,5,14H2,1H3;2*1H
InChI Key:
QIBGKUJPRMUZES-UHFFFAOYSA-N
SMILES:
NCc1nc2c(n1C)ccc(c2)C(F)(F)F.Cl.Cl
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
302.122g/mol
Monoisotopic Mass:
301.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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