Home Bromides 1393442-61-9
1393442-61-9,MFCD22383654
Catalog No.:AA009WT0
1393442-61-9 | 1-BroMo-5-butoxy-2-chloro-4-nitrobenzene
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$90.00
- +
5g
98%
in stock  
$312.00
- +
10g
98%
in stock  
$467.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA009WT0
Chemical Name:
1-BroMo-5-butoxy-2-chloro-4-nitrobenzene
CAS Number:
1393442-61-9
Molecular Formula:
C10H11BrClNO3
Molecular Weight:
308.5562
MDL Number:
MFCD22383654
IUPAC Name:
1-bromo-5-butoxy-2-chloro-4-nitrobenzene
InChI:
InChI=1S/C10H11BrClNO3/c1-2-3-4-16-10-5-7(11)8(12)6-9(10)13(14)15/h5-6H,2-4H2,1H3
InChI Key:
YDUDUXNZIDETDE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Cl)c(cc1OCCCC)Br
Properties
Computed Properties
 
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.961g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.556g/mol
Monoisotopic Mass:
306.961g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

Synonyms
 
1-Bromo-5-butoxy-2-chloro-4-nitrobenzene 
1393442-61-9 
ZINC95494770 
V2966 
C10H11BrClNO3 
Literature
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