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1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylicacid

1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylicacid structure

CAS No:
876294-75-6
Formula:
C14H14FNO2
Chemical Name:
1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylicacid
Synonyms:
1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid;1-(4-fluorobenzyl)-2,5-dimethyl-pyrrole-3-carboxylic acid;A4121/0175719;1-[(4-fluorophenyl)methyl]-2,5-dimethyl-3-pyrrolecarboxylic acid;1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid;1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid;1H-Pyrrole-3-carboxylic acid, 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-

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1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylicacid Basic Attributes

Molecular Weight：

247.26

Exact Mass：

247.10085685

Characteristics

PSA：

42.23000

XLogP3：

2.99050

Density：

1.19±0.1 g/cm3

Melting Point：

192 °C

Boiling Point：

406.7±40.0 °C(Predicted)

PKA：

5.90±0.50

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:247.26
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:247.10085685
Monoisotopic Mass:247.10085685
Topological Polar Surface Area:42.2
Heavy Atom Count:18
Complexity:302
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrole-3-carboxylicacid

Basic Attributes
Characteristics
Safety Information
Computed Properties

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