C1CC(CCC1C2=CC=C(C=C2)Cl)C(=O)O
CAS: 49708-81-8
Name: 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid
SMILES: C1CC(CCC1C2=CC=C(C=C2)Cl)C(=O)O

Molecular Processing

Molecular formula
C13H15ClO2
Molecular weight
238.71
Exact mass
238.0761
XLogP
3.7
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
63.79

Supplementary Information

InChIKey: NXXDIEYTMQYWJU-UHFFFAOYSA-N
Synonyme
4-(4-Chlorophenyl)cyclohexanecarboxylic acid4-(4-chlorophenyl)cyclohexane-1-carboxylic AcidRefChem:514104827-166-449708-81-895233-37-7trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid1346600-43-8cis-4-(4-Chlorophenyl)cyclohexanecarboxylic AcidCyclohexanecarboxylic acid, 4-(4-chlorophenyl)-, trans-Cyclohexanecarboxylic acid, 4-(4-chlorophenyl)-(E)-4-(4-chlorophenyl)cyclohexanecarboxylic acidMFCD00665919MFCD06797626(1r,4r)-4-(4-chlorophenyl)cyclohexane-1-carboxylic acidtrans-4-(p-Chlorophenyl)cyclohexanecarboxylic acidtrans-?4-?(4-?Chlorophenyl)?cyclohexanecarboxyli?c Acid4-(4-CHLOROPHENYL)CYCLOHEXANE CARBOXYLIC ACIDtrans-4-(4-Chlorophenyl)cyclohexane-1-carboxylic acidH7K9WUV7GPOprea1_374119trans-4-(4-Chlorophenyl)cyclohexanecarboxylicacidAtovaquone Related Compound 3SCHEMBL637532SCHEMBL918204(1r,4r)-4-(4-Chlorophenyl)cyclohexanecarboxylic acid925WLS25HDorb3029392DTXSID80964358PDK0242
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