C1C(C1C(=O)O)C(=O)C2=CC=C(C=C2)Br
Nom: cis-(1R,2S)-2-(4-bromobenzoyl)cyclopropane-1-carboxylic acid
SMILES: C1C(C1C(=O)O)C(=O)C2=CC=C(C=C2)Br

Molecular Processing

Molecular formula
C11H9BrO3
Molecular weight
269.09
Exact mass
267.9735
XLogP
2.35
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
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
0.273
Molar refractivity
57.71

Supplementary Information

InChIKey: FFFCOGICKMRJSG-DTWKUNHWSA-N
Synonymes
cis-2-(4-bromobenzoyl)cyclopropanecarboxylic acidSCHEMBL1748183FFFCOGICKMRJSG-DTWKUNHWSA-N
Voir la source →
Impliqué dans 8 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→