Home Halogens 6-bromo-4-methoxy-1H-1,3-benzodiazole

6-bromo-4-methoxy-1H-1,3-benzodiazole

CAS No.:
1360963-12-7
Catalog Number:
AG01BAZO
Molecular Formula:
C8H7BrN2O
Molecular Weight:
227.0580
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Product Description
Catalog Number:
AG01BAZO
Chemical Name:
6-bromo-4-methoxy-1H-1,3-benzodiazole
CAS Number:
1360963-12-7
Molecular Formula:
C8H7BrN2O
Molecular Weight:
227.0580
MDL Number:
MFCD22558040
IUPAC Name:
6-bromo-4-methoxy-1H-benzimidazole
InChI:
InChI=1S/C8H7BrN2O/c1-12-7-3-5(9)2-6-8(7)11-4-10-6/h2-4H,1H3,(H,10,11)
InChI Key:
POJQRKWNXUKDRM-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cc2c1nc[nH]2
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.974g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.061g/mol
Monoisotopic Mass:
225.974g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties