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3-Bromo-4-methoxyisoquinoline

3-Bromo-4-methoxyisoquinoline structure

CAS No:
86814-57-5
Formula:
C10H8BrNO
Chemical Name:
3-Bromo-4-methoxyisoquinoline
Synonyms:
Isoquinoline,3-bromo-4-methoxy-;3-Bromo-4-methoxyisoquinoline

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3-Bromo-4-methoxyisoquinoline Basic Attributes

Molecular Weight：

238.08

Exact Mass：

238.08

Characteristics

PSA：

22.12

XLogP3：

3.0059

Density：

1.516±0.06 g/cm3

Melting Point：

45.5-46.5 °C @ Solvent: Ligroine

Boiling Point：

349.6±22.0 °C(Predicted)

PKA：

1.52±0.31

Computed Properties

Molecular Weight:238.08
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:236.97893
Monoisotopic Mass:236.97893
Topological Polar Surface Area:22.1
Heavy Atom Count:13
Complexity:176
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Bromo-4-methoxyisoquinoline

Basic Attributes
Characteristics
Computed Properties

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