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2-(4-BROMO-PHENYL)-5-METHYL-2H-PYRAZOLE-3-CARBOXYLICACID

2-(4-BROMO-PHENYL)-5-METHYL-2H-PYRAZOLE-3-CARBOXYLICACID structure

CAS No:
618101-88-5
Formula:
C11H9BrN2O2
Chemical Name:
2-(4-BROMO-PHENYL)-5-METHYL-2H-PYRAZOLE-3-CARBOXYLICACID
Synonyms:
1H-Pyrazole-5-carboxylic acid, 1-(4-bromophenyl)-3-methyl-

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2-(4-BROMO-PHENYL)-5-METHYL-2H-PYRAZOLE-3-CARBOXYLICACID Basic Attributes

Molecular Weight：

281.11

Exact Mass：

279.98474

DSSTox ID：

DTXSID20377781

HScode：

2933199090

Characteristics

PSA：

55.12000

XLogP3：

2.64140

Density：

1.61±0.1 g/cm3

Melting Point：

182-184 °C

Boiling Point：

424.8±35.0 °C(Predicted)

PKA：

3.31±0.36

Computed Properties

Molecular Weight:281.10
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:279.98474
Monoisotopic Mass:279.98474
Topological Polar Surface Area:55.1
Heavy Atom Count:16
Complexity:267
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(4-BROMO-PHENYL)-5-METHYL-2H-PYRAZOLE-3-CARBOXYLICACID

Basic Attributes
Characteristics
Computed Properties

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