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2-butyl-1H-imidazole-4-carbaldehyde

2-butyl-1H-imidazole-4-carbaldehyde

CAS: 68282-49-5

Formula: C8H12N2O

SMILES: CCCCC1=NC(C=O)=CN1

IUPAC: 2-butyl-1H-imidazole-4-carbaldehyde

InChI: InChI=1S/C8H12N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5-6H,2-4H2,1H3,(H,9,10)

Composition: C (63.13%), H (7.95%), N (18.41%), O (10.51%)

Molar Mass: 152.197

Atom Count: 23

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 152.094963014
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PTHGVOCFAZSNNA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.48
Topological Polar Surface Area 45.75
Polarizability 16.34
Ring Count 1
Rotatable Bond Count 4

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