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2-[chloro(hydroxy)methylidene]butanoyl chloride

2-[chloro(hydroxy)methylidene]butanoyl chloride

CAS: 36239-09-5

Formula: C5H6Cl2O2

SMILES: CCC(=C(O)Cl)C(Cl)=O

IUPAC: 2-[chloro(hydroxy)methylidene]butanoyl chloride

InChI: InChI=1S/C5H6Cl2O2/c1-2-3(4(6)8)5(7)9/h8H,2H2,1H3

Composition: C (35.54%), H (3.58%), Cl (41.95%), O (18.93%)

Molar Mass: 169

Atom Count: 15

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 167.9744848
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey IDJQXLUDKRSFIG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.94
Topological Polar Surface Area 37.3
Polarizability 14.27
Ring Count 0
Rotatable Bond Count 2

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