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Home Nitros 2-Bromo-4-nitrotoluene

2-Bromo-4-nitrotoluene

CAS No.:
7745-93-9
Catalog Number:
AG003GOX
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003GOX
Chemical Name:
2-Bromo-4-nitrotoluene
CAS Number:
7745-93-9
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
MDL Number:
MFCD00007195
IUPAC Name:
2-bromo-1-methyl-4-nitrobenzene
InChI:
InChI=1S/C7H6BrNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
InChI Key:
XFZFJQHXWJIBQV-UHFFFAOYSA-N
SMILES:
O=N(=O)c1ccc(c(c1)Br)C
EC Number:
231-809-9
NSC Number:
402166
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.958g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.034g/mol
Monoisotopic Mass:
214.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Vibrational analysis of mononitro substituted benzamides, benzaldehydes and toluenes. Part II. Transferability of valence force constants. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20040101
Properties