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1-bromo-4-methoxybutane

1-bromo-4-methoxybutane

CAS: 4457-67-4

Formula: C5H11BrO

SMILES: COCCCCBr

IUPAC: 1-bromo-4-methoxybutane

InChI: InChI=1S/C5H11BrO/c1-7-5-3-2-4-6/h2-5H2,1H3

Composition: C (35.95%), H (6.64%), Br (47.83%), O (9.58%)

Molar Mass: 167.046

Atom Count: 18

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 165.999328
Formal Charge 0
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey ALOQTNHQNMYBDE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 34.85
Topological Polar Surface Area 9.23
Polarizability 13.43
Ring Count 0
Rotatable Bond Count 4

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