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5-amino-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbonitrile

5-amino-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbonitrile structure

CAS No:
74990-43-5
Formula:
C11H6F3N5O2
Chemical Name:
5-amino-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbonitrile
Synonyms:
5-AMINO-1-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-CARBONITRILE;5-amino-1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile;5-Amino-1-(2-nitro-4-(trifluoromethyl)phenyl)-1H-pyrazole-4-carbonitrile;[2-(5-Amino-4-Cyano-1h-Pyrazol-1-Yl)-5-(Trifluoromethyl)phenyl](Hydroxy)oxoammonium;SCHEMBL10619077;C11H6F3N5O2;CTK5E0848;DTXSID00383901;ZINC4299827;9175AE

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5-amino-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbonitrile Basic Attributes

Molecular Weight：

297.2

Exact Mass：

297.04700

DSSTox ID：

DTXSID00383901

Characteristics

PSA：

113

XLogP3：

3.35758

Density：

1.63g/cm3

Melting Point：

231-233°

Boiling Point：

455.3ºC at 760 mmHg

Flash Point：

229.1ºC

Refractive Index：

1.633

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:297.19
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:1
Exact Mass:297.04735894
Monoisotopic Mass:297.04735894
Topological Polar Surface Area:113
Heavy Atom Count:21
Complexity:457
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-amino-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

5-amino-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbonitrile

SDS

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