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183012-99-9 | 1H-Imidazole-5-carboxaldehyde,1-(1-methylethyl)-(9CI)
CAS No: 183012-99-9 Catalog No: AG00AD2W MDL No:MFCD14584628
Product Description
Catalog Number:
AG00AD2W
Chemical Name:
1H-Imidazole-5-carboxaldehyde,1-(1-methylethyl)-(9CI)
CAS Number:
183012-99-9
Molecular Formula:
C7H11ClN2O
Molecular Weight:
174.6280
MDL Number:
MFCD14584628
IUPAC Name:
3-propan-2-ylimidazole-4-carbaldehyde
InChI:
InChI=1S/C7H10N2O/c1-6(2)9-5-8-3-7(9)4-10/h3-6H,1-2H3
InChI Key:
VGIWEUWQSDSUIF-UHFFFAOYSA-N
SMILES:
O=Cc1cncn1C(C)C.Cl
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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