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3-(5-Bromo-2-fluorophenyl)propionicacid

3-(5-Bromo-2-fluorophenyl)propionicacid structure

CAS No:
881189-58-8
Formula:
C9H8BrFO2
Chemical Name:
3-(5-Bromo-2-fluorophenyl)propionicacid
Synonyms:
3-(5-Bromo-2-fluorophenyl)propionic acid;3-(5-Bromo-2-fluorophenyl)propanoic acid;Benzenepropanoic acid, 5-bromo-2-fluoro-

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3-(5-Bromo-2-fluorophenyl)propionicacid Basic Attributes

Molecular Weight：

247.06

Exact Mass：

245.96917

Characteristics

PSA：

37.30000

XLogP3：

2.60540

Density：

1.606±0.06 g/cm3

Boiling Point：

330.8±27.0 °C(Predicted)

PKA：

4.57±0.10

Safety Information

wgk germany：

hazard class code：

22-36

safety instructions：

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:247.06
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:245.96917
Monoisotopic Mass:245.96917
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:187
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(5-Bromo-2-fluorophenyl)propionicacid

Basic Attributes
Characteristics
Safety Information
Computed Properties

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