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946061-30-9 | 2-chloro-1-ethyl-1H-imidazole-5-carbaldehyde
CAS No: 946061-30-9 Catalog No: AG01BX3E MDL No:MFCD24686452
Product Description
Catalog Number:
AG01BX3E
Chemical Name:
2-chloro-1-ethyl-1H-imidazole-5-carbaldehyde
CAS Number:
946061-30-9
Molecular Formula:
C6H7ClN2O
Molecular Weight:
158.5856
MDL Number:
MFCD24686452
IUPAC Name:
2-chloro-3-ethylimidazole-4-carbaldehyde
InChI:
InChI=1S/C6H7ClN2O/c1-2-9-5(4-10)3-8-6(9)7/h3-4H,2H2,1H3
InChI Key:
CDJDHXMCJFGZMO-UHFFFAOYSA-N
SMILES:
CCn1c(C=O)cnc1Cl
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.585g/mol
Monoisotopic Mass:
158.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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