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Home Nitros 2-Bromo-5-nitrotoluene

2-Bromo-5-nitrotoluene

CAS No.:
7149-70-4
Catalog Number:
AG00FABJ
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
99%
In Stock USA
United States
$13
- +
25g
99%
In Stock USA
United States
$32
- +
100g
99%
In Stock USA
United States
$88
- +
500g
99%
In Stock USA
United States
$275
- +
Product Description
Catalog Number:
AG00FABJ
Chemical Name:
2-Bromo-5-nitrotoluene
CAS Number:
7149-70-4
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
MDL Number:
MFCD00007281
IUPAC Name:
1-bromo-2-methyl-4-nitrobenzene
InChI:
InChI=1S/C7H6BrNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3
InChI Key:
HIMGPQVBNICCGL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)C)Br
EC Number:
230-481-4
NSC Number:
72323
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:
3.5  
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