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1-chloro-4-methoxybutane

1-chloro-4-methoxybutane

CAS: 17913-18-7

Formula: C5H11ClO

SMILES: COCCCCCl

IUPAC: 1-chloro-4-methoxybutane

InChI: InChI=1S/C5H11ClO/c1-7-5-3-2-4-6/h2-5H2,1H3

Composition: C (48.99%), H (9.04%), Cl (28.92%), O (13.05%)

Molar Mass: 122.59

Atom Count: 18

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 122.0498427
Formal Charge 0
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey DFLRARJQZRCCKN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 31.87
Topological Polar Surface Area 9.23
Polarizability 12.47
Ring Count 0
Rotatable Bond Count 4

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