Home  > 4-Nitrobenzyl bromide

AA00013

100-11-8 | 4-Nitrobenzyl bromide

Packsize Purity Availability Price Discounted Price    Quantity
25g 98% In Stock US $28.00 $20.00 -   +
100g 98% In Stock US $71.00 $50.00 -   +
500g 98% In Stock US $285.00 $200.00 -   +

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Description
Catalog Number: AA00013
Chemical Name: 4-Nitrobenzyl bromide
CAS Number: 100-11-8
Molecular Formula: C7H6BrNO2
Molecular Weight: 216.0320
MDL Number: MFCD00007373
IUPAC Name: 1-(bromomethyl)-4-nitrobenzene
InChl: InChI=1S/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
InChl Key: VOLRSQPSJGXRNJ-UHFFFAOYSA-N
SMILES: BrCc1ccc(cc1)[N+](=O)[O-]
NSC Number: 4609

 

Computed Properties
Complexity: 138  
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: 1  
Topological Polar Surface Area: 45.8A^2
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0
XLogP3: 2.7  

 

 

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