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Home > Aldehydes > 124750-49-8
124750-49-8 | 1H-Imidazole-4-carboxaldehyde, 5-chloro-2-propyl-
CAS No: 124750-49-8 Catalog No: AG000MOU MDL No:
Product Description
Catalog Number:
AG000MOU
Chemical Name:
1H-Imidazole-4-carboxaldehyde, 5-chloro-2-propyl-
CAS Number:
124750-49-8
Molecular Formula:
C7H9ClN2O
Molecular Weight:
172.6122
IUPAC Name:
5-chloro-2-propyl-1H-imidazole-4-carbaldehyde
InChI:
InChI=1S/C7H9ClN2O/c1-2-3-6-9-5(4-11)7(8)10-6/h4H,2-3H2,1H3,(H,9,10)
InChI Key:
FWVVPZWPVIJGRU-UHFFFAOYSA-N
SMILES:
CCCc1nc(c([nH]1)Cl)C=O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.612g/mol
Monoisotopic Mass:
172.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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