B(C1=C(C=CC(=C1)Cl)OC(C)C(=O)O)(O)O
Name: (2S)-2-(2-borono-4-chlorophenoxy)propanoic acid
SMILES: B(C1=C(C=CC(=C1)Cl)OC(C)C(=O)O)(O)O

Molecular Processing

Molecular formula
C9H10BClO5
Molecular weight
244.44
Exact mass
244.031
XLogP
-0.13
TPSA
86.99
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
59

Supplementary Information

InChIKey: VHXJHZHXSLZJFI-YFKPBYRVSA-N
Synonyme
SCHEMBL2102387VHXJHZHXSLZJFI-YFKPBYRVSA-N(2S)-2-(2-borono-4-chlorophenoxy)-propanoic acid2-(2-borono-4-chlorophenoxy)-(2s)-propanoic acid
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