C(C(=O)CCl)Cl
CAS: 534-07-6
Name: 1,3-dichloropropan-2-one
SMILES: C(C(=O)CCl)Cl

Molecular Processing

Molecular formula
C3H4Cl2O
Molecular weight
126.97
Exact mass
125.9639
XLogP
1.03
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
6
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
26.45

Supplementary Information

InChIKey: SUNMBRGCANLOEG-UHFFFAOYSA-N
Synonyms
1,3-Dichloroacetone534-07-61,3-Dichloro-2-propanone1,3-Dichloropropanonesym-Dichloroacetone2-Propanone, 1,3-dichloro-BISCHLOROMETHYL KETONEAcetone, 1,3-dichloroalpha,gamma-Dichloroacetone1,3-DichloroacetonaDichloro-1,3 acetoneDTXSID2021577UFH8559WS5NSC-8745alpha,alpha'-DichloroacetoneDTXCID001577CHEBI:156485RefChem:72632208-585-61,3-dichloropropan-2-oneBis(chloromethyl) ketones-DichloroacetoneBis(chloromethyl)ketone1,3-DICHLORO-PROPAN-2-ONEchloromethyl ketone.alpha.,.alpha.'-DichloroacetoneMFCD00000937CAS-534-07-6CCRIS 19421,3-Dichloroacetona [Spanish]
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