Name: 1-(4-chlorophenyl)cyclopentane-1-carbaldehyde
SMILES:
O=CC1(c2ccc(Cl)cc2)CCCC1Molecular Processing
Molecular formula
C12H13ClO
Molecular weight
208.69
Exact mass
208.0655
XLogP
3.35
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
57.66
Supplementary Information
InChIKey: UTOAJPCXCJNPNA-UHFFFAOYSA-N
Synonyme
SCHEMBL2322625SCHEMBL6498103UTOAJPCXCJNPNA-UHFFFAOYSA-N1-(4-chlorophenyl)-cyclopentanecarbaldehyde1-(4-chlorophenyl)-1-cyclopentanecarboxaldehyde
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