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944903-71-3 | 5-(3-bromophenyl)-1H-imidazole-2-carbaldehyde
CAS No: 944903-71-3 Catalog No: AG01AHEF MDL No:MFCD10696712
Product Description
Catalog Number:
AG01AHEF
Chemical Name:
5-(3-bromophenyl)-1H-imidazole-2-carbaldehyde
CAS Number:
944903-71-3
Molecular Formula:
C10H7BrN2O
Molecular Weight:
251.0794
MDL Number:
MFCD10696712
IUPAC Name:
5-(3-bromophenyl)-1H-imidazole-2-carbaldehyde
InChI:
InChI=1S/C10H7BrN2O/c11-8-3-1-2-7(4-8)9-5-12-10(6-14)13-9/h1-6H,(H,12,13)
InChI Key:
JHPHHVPDVQOPLV-UHFFFAOYSA-N
SMILES:
O=Cc1ncc([nH]1)c1cccc(c1)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:
249.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.083g/mol
Monoisotopic Mass:
249.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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