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Home > Aldehydes > 2059940-45-1
2059940-45-1 | 1-(azetidin-3-yl)-2-chloro-1H-imidazole-5-carbaldehyde
CAS No: 2059940-45-1 Catalog No: AG01BX3H MDL No:MFCD30477677
Product Description
Catalog Number:
AG01BX3H
Chemical Name:
1-(azetidin-3-yl)-2-chloro-1H-imidazole-5-carbaldehyde
CAS Number:
2059940-45-1
Molecular Formula:
C7H8ClN3O
Molecular Weight:
185.6109
MDL Number:
MFCD30477677
IUPAC Name:
3-(azetidin-3-yl)-2-chloroimidazole-4-carbaldehyde
InChI:
InChI=1S/C7H8ClN3O/c8-7-10-3-6(4-12)11(7)5-1-9-2-5/h3-5,9H,1-2H2
InChI Key:
LYXYKJMHZMEGLM-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(n1C1CNC1)Cl
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.611g/mol
Monoisotopic Mass:
185.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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