C1CCC(C(C1)C(=O)C2=CC=C(C=C2)Br)C(=O)O
CAS: 85603-41-4
Nombre: cis-(1R,2S)-2-(4-bromobenzoyl)cyclohexane-1-carboxylic acid
SMILES: C1CCC(C(C1)C(=O)C2=CC=C(C=C2)Br)C(=O)O

Molecular Processing

Molecular formula
C14H15BrO3
Molecular weight
311.18
Exact mass
310.0205
XLogP
3.52
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
71.56

Supplementary Information

InChIKey: OVZXXISOLDHARA-NWDGAFQWSA-N
Sinónimos
85603-41-4cis-2-(4-Bromobenzoyl)cyclohexanecarboxylic acidCIS-2-(4-BROMOBENZOYL)-1-CYCLOHEXANE-CARBOXYLIC ACIDSCHEMBL1748823(1R,2S)-2-(4-bromobenzoyl)cyclohexane-1-carboxylic acidOVZXXISOLDHARA-NWDGAFQWSA-NDB-254238cis-2-(4-Bromobenzoyl)cyclohexanecarboxylicacidcis-2-(4-bromobenzoyl)-1-cyclohexanecarboxylic acid
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