Home  > 4-Nitrobenzyl chloride

AA00010

100-14-1 | 4-Nitrobenzyl chloride

Packsize Purity Availability Price Discounted Price    Quantity
5g 98% In Stock US $14.00 $10.00 -   +
25g 98% In Stock US $28.00 $20.00 -   +
100g 98% In Stock US $71.00 $50.00 -   +
500g 98% In Stock US $215.00 $150.00 -   +

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Description
Catalog Number: AA00010
Chemical Name: 4-Nitrobenzyl chloride
CAS Number: 100-14-1
Molecular Formula: C7H6ClNO2
Molecular Weight: 171.5810
MDL Number: MFCD00007374
IUPAC Name: 1-(chloromethyl)-4-nitrobenzene
InChl: InChI=1S/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
InChl Key: KGCNHWXDPDPSBV-UHFFFAOYSA-N
SMILES: ClCc1ccc(cc1)[N+](=O)[O-]
NSC Number: 9803

 

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: 171.009g/mol
Formal Charge: 0
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Molecular Weight: 171.58g/mol
Monoisotopic Mass: 171.009g/mol
Rotatable Bond Count: 1  
Topological Polar Surface Area: 45.8A^2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.5  

 

 

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