methyl 8-chloro-8-oxooctanoate

methyl 8-chloro-8-oxooctanoate

CAS: 41624-92-4

Formula: C9H15ClO3

SMILES: COC(=O)CCCCCCC(Cl)=O

IUPAC: methyl 8-chloro-8-oxooctanoate

InChI: InChI=1S/C9H15ClO3/c1-13-9(12)7-5-3-2-4-6-8(10)11/h2-7H2,1H3

Composition: C (52.31%), H (7.32%), Cl (17.15%), O (23.22%)

Molar Mass: 206.67

Atom Count: 28

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	206.070972
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RKUPOLBFJIEWBZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.57
Topological Polar Surface Area	43.37
Polarizability	20.08
Ring Count	0
Rotatable Bond Count	8

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