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346704-90-3

346704-90-3 | Benzoic acid, 5-nitro-2-phenoxy-, methyl ester

CAS No: 346704-90-3 Catalog No: AG00I6US MDL No:

Product Description

Catalog Number:
AG00I6US
Chemical Name:
Benzoic acid, 5-nitro-2-phenoxy-, methyl ester
CAS Number:
346704-90-3
IUPAC Name:
methyl 5-nitro-2-phenoxybenzoate
InChI:
InChI=1S/C14H11NO5/c1-19-14(16)12-9-10(15(17)18)7-8-13(12)20-11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
VPTBROVHGPFOPR-UHFFFAOYSA-N

Properties

Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.064g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.244g/mol
Monoisotopic Mass:
273.064g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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