C1=CC=C(C=C1)C(=O)CCCl
CAS: 936-59-4
Name: 3-chloro-1-phenylpropan-1-one
SMILES: C1=CC=C(C=C1)C(=O)CCCl

Molecular Processing

Molecular formula
C9H9ClO
Molecular weight
168.62
Exact mass
168.0342
XLogP
2.5
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
46.11

Supplementary Information

InChIKey: KTJRGPZVSKWRTJ-UHFFFAOYSA-N
Synonyme
3-Chloropropiophenone936-59-43-chloro-1-phenylpropan-1-one1-Propanone, 3-chloro-1-phenyl-3-Chloro-1-phenyl-1-propanonePropiophenone, 3-chloro-WBZ9Q23H2TNSC-37238NSC-227202DTXSID5061324RefChem:436338DTXCID7048877213-317-6beta-Chloropropiophenone2-Chloroethyl phenyl ketone3-Chloropropanophenone3-Chloro-1-Phenyl-Propan-1-One.beta.-ChloropropiophenoneMFCD00000990NSC 37238.omega.-ChloropropiophenoneNSC 227202.beta.-Chloroethyl phenyl ketone1-propanone,3-chloropropiophenoneomega-Chloropropiophenonebeta-Chloroethyl phenyl ketone1-Phenyl-3-chloro-1-propanoneEINECS 213-317-6ss-chloropropiophenone3- chloropropiophenone
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