Home Nitros 1-Bromo-3-nitrobenzene

1-Bromo-3-nitrobenzene

CAS No.:
585-79-5
Catalog Number:
AG00IAE9
Molecular Formula:
C6H4BrNO2
Molecular Weight:
202.0055
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:
AG00IAE9
Chemical Name:
1-Bromo-3-nitrobenzene
CAS Number:
585-79-5
Molecular Formula:
C6H4BrNO2
Molecular Weight:
202.0055
MDL Number:
MFCD00024298
IUPAC Name:
1-bromo-3-nitrobenzene
InChI:
InChI=1S/C6H4BrNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
InChI Key:
FWIROFMBWVMWLB-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)[N+](=O)[O-]
EC Number:
209-563-9
NSC Number:
7084
Properties
Complexity:
134  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.943g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.007g/mol
Monoisotopic Mass:
200.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Substituent effect on electronic structures of halonitrobenzenes. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081215
Properties