Home Halogens 4-bromo-5-methyl-1H-1,3-benzodiazole

4-bromo-5-methyl-1H-1,3-benzodiazole

CAS No.:
1360963-03-6
Catalog Number:
AG01BFG1
Molecular Formula:
C8H7BrN2
Molecular Weight:
211.0586
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Product Description
Catalog Number:
AG01BFG1
Chemical Name:
4-bromo-5-methyl-1H-1,3-benzodiazole
CAS Number:
1360963-03-6
Molecular Formula:
C8H7BrN2
Molecular Weight:
211.0586
MDL Number:
MFCD22558018
IUPAC Name:
4-bromo-5-methyl-1H-benzimidazole
InChI:
InChI=1S/C8H7BrN2/c1-5-2-3-6-8(7(5)9)11-4-10-6/h2-4H,1H3,(H,10,11)
InChI Key:
ILQTVYOOUXZJHF-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1Br)nc[nH]2
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.979g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.062g/mol
Monoisotopic Mass:
209.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties