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Home > Aldehydes > 189014-06-0
189014-06-0 | 1H-Imidazole-5-carboxaldehyde, 4-bromo-1-[(phenylmethoxy)methyl]-
CAS No: 189014-06-0 Catalog No: AG002HOZ MDL No:
Product Description
Catalog Number:
AG002HOZ
Chemical Name:
1H-Imidazole-5-carboxaldehyde, 4-bromo-1-[(phenylmethoxy)methyl]-
CAS Number:
189014-06-0
Molecular Formula:
C12H11BrN2O2
Molecular Weight:
295.1319
IUPAC Name:
5-bromo-3-(phenylmethoxymethyl)imidazole-4-carbaldehyde
InChI:
InChI=1S/C12H11BrN2O2/c13-12-11(6-16)15(8-14-12)9-17-7-10-4-2-1-3-5-10/h1-6,8H,7,9H2
InChI Key:
KWSNFRVLWYODLE-UHFFFAOYSA-N
SMILES:
O=Cc1c(Br)ncn1COCc1ccccc1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.136g/mol
Monoisotopic Mass:
294g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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