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88473-88-5

88473-88-5 | Carbonic acid, mono(4-nitrophenyl) ester

CAS No: 88473-88-5 Catalog No: AG004AAZ MDL No:

Product Description

Catalog Number:
AG004AAZ
Chemical Name:
Carbonic acid, mono(4-nitrophenyl) ester
CAS Number:
88473-88-5
Molecular Formula:
C7H4NO5-
Molecular Weight:
182.1104
IUPAC Name:
(4-nitrophenyl) carbonate
InChI:
InChI=1S/C7H5NO5/c9-7(10)13-6-3-1-5(2-4-6)8(11)12/h1-4H,(H,9,10)/p-1
InChI Key:
LOVPHSMOAVXQIH-UHFFFAOYSA-M
SMILES:
[O-]C(=O)Oc1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.009g/mol
Formal Charge:
-1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.111g/mol
Monoisotopic Mass:
182.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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