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5,6,7,8-tetrahydronaphthalene-2-carbonyl chloride

5,6,7,8-tetrahydronaphthalene-2-carbonyl chloride

CAS: 91586-31-1

Formula: C11H11ClO

SMILES: ClC(=O)C1=CC2=C(CCCC2)C=C1

IUPAC: 5,6,7,8-tetrahydronaphthalene-2-carbonyl chloride

InChI: InChI=1S/C11H11ClO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2

Composition: C (67.87%), H (5.70%), Cl (18.21%), O (8.22%)

Molar Mass: 194.66

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 194.0498427
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey JMRNMCLXFHVCQI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.65
Topological Polar Surface Area 17.07
Polarizability 20.55
Ring Count 2
Rotatable Bond Count 1

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