Home Halogens 5-bromo-1H-imidazole-4-carbaldehyde

5-bromo-1H-imidazole-4-carbaldehyde

CAS No.:
50743-01-6
Catalog Number:
AG00DJIH
Molecular Formula:
C4H3BrN2O
Molecular Weight:
174.9834
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Product Description
Catalog Number:
AG00DJIH
Chemical Name:
5-bromo-1H-imidazole-4-carbaldehyde
CAS Number:
50743-01-6
Molecular Formula:
C4H3BrN2O
Molecular Weight:
174.9834
MDL Number:
MFCD21336623
IUPAC Name:
5-bromo-1H-imidazole-4-carbaldehyde
InChI:
InChI=1S/C4H3BrN2O/c5-4-3(1-8)6-2-7-4/h1-2H,(H,6,7)
InChI Key:
WSKUPAMDYXOQRC-UHFFFAOYSA-N
SMILES:
Brc1c(C=O)nc[nH]1
Properties
Complexity:
98  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.943g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.985g/mol
Monoisotopic Mass:
173.943g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties