Home Halogens (4-bromo-1H-1,3-benzodiazol-2-yl)methanamine

(4-bromo-1H-1,3-benzodiazol-2-yl)methanamine

CAS No.:
1263060-69-0
Catalog Number:
AG01C1T6
Molecular Formula:
C8H8BrN3
Molecular Weight:
226.0732
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Product Description
Catalog Number:
AG01C1T6
Chemical Name:
(4-bromo-1H-1,3-benzodiazol-2-yl)methanamine
CAS Number:
1263060-69-0
Molecular Formula:
C8H8BrN3
Molecular Weight:
226.0732
MDL Number:
MFCD22564724
IUPAC Name:
(4-bromo-1H-benzimidazol-2-yl)methanamine
InChI:
InChI=1S/C8H8BrN3/c9-5-2-1-3-6-8(5)12-7(4-10)11-6/h1-3H,4,10H2,(H,11,12)
InChI Key:
BMRXKDIZQIWUMK-UHFFFAOYSA-N
SMILES:
NCc1nc2c([nH]1)cccc2Br
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.99g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
226.077g/mol
Monoisotopic Mass:
224.99g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties