Home Nitros 1-Bromo-4-(tert-butyl)-2-nitrobenzene

1-Bromo-4-(tert-butyl)-2-nitrobenzene

CAS No.:
70729-05-4
Catalog Number:
AG005SRS
Molecular Formula:
C10H12BrNO2
Molecular Weight:
258.1118
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$100
- +
1g
98%
In Stock USA
United States
$207
- +
5g
98%
In Stock USA
United States
$688
- +
10g
98%
In Stock USA
United States
$1219
- +
Product Description
Catalog Number:
AG005SRS
Chemical Name:
1-Bromo-4-(tert-butyl)-2-nitrobenzene
CAS Number:
70729-05-4
Molecular Formula:
C10H12BrNO2
Molecular Weight:
258.1118
MDL Number:
MFCD11845934
IUPAC Name:
1-bromo-4-tert-butyl-2-nitrobenzene
InChI:
InChI=1S/C10H12BrNO2/c1-10(2,3)7-4-5-8(11)9(6-7)12(13)14/h4-6H,1-3H3
InChI Key:
XACFLGSMDUITKB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Br)C(C)(C)C
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.005g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.115g/mol
Monoisotopic Mass:
257.005g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties