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944897-97-6 | 5-(4-bromophenyl)-1H-imidazole-2-carbaldehyde
CAS No: 944897-97-6 Catalog No: AG01DUC4 MDL No:MFCD10696711
Product Description
Catalog Number:
AG01DUC4
Chemical Name:
5-(4-bromophenyl)-1H-imidazole-2-carbaldehyde
CAS Number:
944897-97-6
Molecular Formula:
C10H7BrN2O
Molecular Weight:
251.0794
MDL Number:
MFCD10696711
IUPAC Name:
5-(4-bromophenyl)-1H-imidazole-2-carbaldehyde
InChI:
InChI=1S/C10H7BrN2O/c11-8-3-1-7(2-4-8)9-5-12-10(6-14)13-9/h1-6H,(H,12,13)
InChI Key:
WKRUWMMSSWZVRT-UHFFFAOYSA-N
SMILES:
O=Cc1ncc([nH]1)c1ccc(cc1)Br
Properties
Complexity:
204
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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