Home Halogens 4-[(6-bromo-1H-1,3-benzodiazol-2-yl)methyl]aniline dihydrochloride

4-[(6-bromo-1H-1,3-benzodiazol-2-yl)methyl]aniline dihydrochloride

CAS No.:
1909318-72-4
Catalog Number:
AG01C48E
Molecular Formula:
C14H14BrCl2N3
Molecular Weight:
375.0911
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Product Description
Catalog Number:
AG01C48E
Chemical Name:
4-[(6-bromo-1H-1,3-benzodiazol-2-yl)methyl]aniline dihydrochloride
CAS Number:
1909318-72-4
Molecular Formula:
C14H14BrCl2N3
Molecular Weight:
375.0911
MDL Number:
MFCD29763050
IUPAC Name:
4-[(6-bromo-1H-benzimidazol-2-yl)methyl]aniline;dihydrochloride
InChI:
InChI=1S/C14H12BrN3.2ClH/c15-10-3-6-12-13(8-10)18-14(17-12)7-9-1-4-11(16)5-2-9;;/h1-6,8H,7,16H2,(H,17,18);2*1H
InChI Key:
LDHPLYRDPRCRRZ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cc1nc2c([nH]1)cc(cc2)Br.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:
372.975g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
375.091g/mol
Monoisotopic Mass:
372.975g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties