Home Halogens 5-bromo-1-methyl-1H-1,3-benzodiazole-2-carbaldehyde

5-bromo-1-methyl-1H-1,3-benzodiazole-2-carbaldehyde

CAS No.:
887571-40-6
Catalog Number:
AG01A6WQ
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
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Product Description
Catalog Number:
AG01A6WQ
Chemical Name:
5-bromo-1-methyl-1H-1,3-benzodiazole-2-carbaldehyde
CAS Number:
887571-40-6
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
MDL Number:
MFCD18878533
IUPAC Name:
5-bromo-1-methylbenzimidazole-2-carbaldehyde
InChI:
InChI=1S/C9H7BrN2O/c1-12-8-3-2-6(10)4-7(8)11-9(12)5-13/h2-5H,1H3
InChI Key:
ZAJSAYQLLBKWQQ-UHFFFAOYSA-N
SMILES:
O=Cc1nc2c(n1C)ccc(c2)Br
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.974g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.072g/mol
Monoisotopic Mass:
237.974g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties