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Home Halogens 4-Chloro-3-Nitrobenzotrifluoride

4-Chloro-3-Nitrobenzotrifluoride

CAS No.:
121-17-5
Catalog Number:
AG003L58
Molecular Formula:
C7H3ClF3NO2
Molecular Weight:
225.5524
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(GC)
In Stock USA
United States
$39
- +
5g
98%(GC)
In Stock USA
United States
$57
- +
25g
98%(GC)
In Stock USA
United States
$94
- +
100g
98%(GC)
In Stock USA
United States
$282
- +
Product Description
Catalog Number:
AG003L58
Chemical Name:
4-Chloro-3-Nitrobenzotrifluoride
CAS Number:
121-17-5
Molecular Formula:
C7H3ClF3NO2
Molecular Weight:
225.5524
MDL Number:
MFCD00007084
IUPAC Name:
1-chloro-2-nitro-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H3ClF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H
InChI Key:
TZGFQIXRVUHDLE-UHFFFAOYSA-N
SMILES:
O=N(=O)c1cc(ccc1Cl)C(F)(F)F
EC Number:
204-451-6
UNII:
82344306TN
NSC Number:
8760
UN Number:
2307
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.98g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.551g/mol
Monoisotopic Mass:
224.98g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Finding of the low molecular weight inhibitors of resuscitation promoting factor enzymatic and resuscitation activity. PloS one 20090101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties