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3,4-DIAMINO-5-NITROBENZOTRIFLUORIDE

3,4-DIAMINO-5-NITROBENZOTRIFLUORIDE structure

CAS No:
2078-01-5
Formula:
C7H6F3N3O2
Chemical Name:
3,4-DIAMINO-5-NITROBENZOTRIFLUORIDE
Synonyms:
3-nitro-5-(trifluoromethyl)benzene-1,2-diamine;3,4-DIAMINO-5-NITROBENZOTRIFLUORIDE;3-Nitro-5-(trifluoromethyl)-1,2-benzenediamine;3-nitro-5-trifluoromethyl-1,2-phenylenediamine;1,2-Benzenediamine, 3-nitro-5-(trifluoromethyl)-;MLS000419132;SCHEMBL2415016;CHEMBL1504863;DTXSID90174860;HMS2684L05

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3,4-DIAMINO-5-NITROBENZOTRIFLUORIDE Basic Attributes

Molecular Weight：

221.13700

Exact Mass：

221.04100

UNII：

8V6ZFH32HQ

DSSTox ID：

DTXSID90174860

HScode：

2921590090

Characteristics

PSA：

97.86000

XLogP3：

3.46360

Density：

1.586g/cm3

Boiling Point：

336.5ºC at 760mmHg

Flash Point：

157.3ºC

Refractive Index：

1.578

Water Solubility：

>33.2 [ug/mL]

Computed Properties

Molecular Weight:221.14
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Exact Mass:221.04121093
Monoisotopic Mass:221.04121093
Topological Polar Surface Area:97.9
Heavy Atom Count:15
Complexity:253
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4-DIAMINO-5-NITROBENZOTRIFLUORIDE

Basic Attributes
Characteristics
Computed Properties

3,4-DIAMINO-5-NITROBENZOTRIFLUORIDE

SDS

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