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1-(2-NITRO-4-TRIFLUOROMETHYL-PHENYL)-PIPERIDINE-3-CARBOXYLICACID

1-(2-NITRO-4-TRIFLUOROMETHYL-PHENYL)-PIPERIDINE-3-CARBOXYLICACID structure

CAS No:
325702-09-8
Formula:
C13H13F3N2O4
Chemical Name:
1-(2-NITRO-4-TRIFLUOROMETHYL-PHENYL)-PIPERIDINE-3-CARBOXYLICACID
Synonyms:
IFLAB-BB F0306-0078;AKOS B034458;AKOS BBS-00001516;1-(2-NITRO-4-TRIFLUOROMETHYL-PHENYL)-PIPERIDINE-3-CARBOXYLIC ACID;3-Piperidinecarboxylic acid, 1-[2-nitro-4-(trifluoromethyl)phenyl]-

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1-(2-NITRO-4-TRIFLUOROMETHYL-PHENYL)-PIPERIDINE-3-CARBOXYLICACID Basic Attributes

Molecular Weight：

318.25

Exact Mass：

318.08274139

HScode：

2933399090

Characteristics

PSA：

86.36000

XLogP3：

3.50280

Density：

1.451±0.06 g/cm3

Melting Point：

138-141

Boiling Point：

452.4±45.0 °C(Predicted)

PKA：

4.39±0.20

Safety Information

Hazard category：

IRRITANT

Marks：

Computed Properties

Molecular Weight:318.25
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:318.08274139
Monoisotopic Mass:318.08274139
Topological Polar Surface Area:86.4
Heavy Atom Count:22
Complexity:438
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(2-NITRO-4-TRIFLUOROMETHYL-PHENYL)-PIPERIDINE-3-CARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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