이름: 2-phenyl-3-methyl-pentanoyl chloride
SMILES:
CCC(C)C(C(=O)Cl)c1ccccc1Molecular Processing
Molecular formula
C12H15ClO
Molecular weight
210.7
Exact mass
210.0811
XLogP
3.58
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
59.5
Supplementary Information
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