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Home > Aldehydes > 141692-01-5
141692-01-5 | 1H-Imidazole-5-carboxaldehyde, 2-butyl-4-chloro-1-(phenylmethyl)-
CAS No: 141692-01-5 Catalog No: AG001GWR MDL No:
Product Description
Catalog Number:
AG001GWR
Chemical Name:
1H-Imidazole-5-carboxaldehyde, 2-butyl-4-chloro-1-(phenylmethyl)-
CAS Number:
141692-01-5
Molecular Formula:
C15H17ClN2O
Molecular Weight:
276.7613
IUPAC Name:
3-benzyl-2-butyl-5-chloroimidazole-4-carbaldehyde
InChI:
InChI=1S/C15H17ClN2O/c1-2-3-9-14-17-15(16)13(11-19)18(14)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3
InChI Key:
YAEBEAMNQJFGAS-UHFFFAOYSA-N
SMILES:
CCCCc1nc(c(n1Cc1ccccc1)C=O)Cl
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.764g/mol
Monoisotopic Mass:
276.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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