C1=CC=C(C=C1)CCOC(=O)Cl
CAS: 57913-41-4
Name: 2-phenylethyl carbonochloridate
SMILES: C1=CC=C(C=C1)CCOC(=O)Cl

Molecular Processing

Molecular formula
C9H9ClO2
Molecular weight
184.62
Exact mass
184.0291
XLogP
2.6
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
47.35

Supplementary Information

InChIKey: DKULSTMKCYRQCP-UHFFFAOYSA-N
Synonyme
2-phenylethyl chloroformateRefChem:478170870-320-057913-41-42-Phenylethyl carbonochloridatephenethyl carbonochloridatechlorocarbonic acid phenethyl esterCarbonochloridic acid, 2-phenylethyl esterphenethyl chloroformatephenethylcarbonochloridate2-phenylethylcarbonochloridateSCHEMBL3845851DTXSID70579531DKULSTMKCYRQCP-UHFFFAOYSA-NHCA91341EN300-220729
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