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AA00018

100-02-7 | 4-Nitrophenol

Packsize Purity Availability Price Discounted Price    Quantity
5g 98% In Stock US $14.00 $10.00 -   +
25g 98% In Stock US $22.00 $15.00 -   +
100g 98% In Stock US $57.00 $40.00 -   +
500g 98% In Stock US $215.00 $150.00 -   +

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*All prices are in USD.

Description
Catalog Number: AA00018
Chemical Name: 4-Nitrophenol
CAS Number: 100-02-7
Molecular Formula: C6H5NO3
Molecular Weight: 139.1088
MDL Number: MFCD00007331
IUPAC Name: 4-nitrophenol
InChl: InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
InChl Key: BTJIUGUIPKRLHP-UHFFFAOYSA-N
SMILES: Oc1ccc(cc1)[N+](=O)[O-]
NSC Number: 1317

 

Computed Properties
Complexity: 123  
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 139.027g/mol
Formal Charge: 0
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0
Molecular Weight: 139.11g/mol
Monoisotopic Mass: 139.027g/mol
Rotatable Bond Count: 0
Topological Polar Surface Area: 66A^2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.9  

 

 

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