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Benzenepropanoicacid,4-bromo-β-oxo-

Benzenepropanoicacid,4-bromo-β-oxo- structure

CAS No:
64929-35-7
Formula:
C9H7BrO3
Chemical Name:
Benzenepropanoicacid,4-bromo-β-oxo-
Synonyms:
Benzenepropanoic acid, 4-bromo-β-oxo-;Benzenepropanoic acid, 4-bromo-β-oxo-

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Benzenepropanoicacid,4-bromo-β-oxo- Basic Attributes

Molecular Weight：

243.05

Exact Mass：

241.95786

Characteristics

PSA：

54.37000

XLogP3：

2.10650

Density：

1.639±0.06 g/cm3

Melting Point：

123-125 °C

Boiling Point：

420.8±30.0 °C(Predicted)

PKA：

2.44±0.32

Computed Properties

Molecular Weight:243.05
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:241.95786
Monoisotopic Mass:241.95786
Topological Polar Surface Area:54.4
Heavy Atom Count:13
Complexity:207
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzenepropanoicacid,4-bromo-β-oxo-

Basic Attributes
Characteristics
Computed Properties

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