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Home > Nitro Compounds > 113187-83-0
113187-83-0 | Benzoic acid, 4-(2-nitrophenoxy)-, methyl ester
CAS No: 113187-83-0 Catalog No: AG00HCOC MDL No:
Product Description
Catalog Number:
AG00HCOC
Chemical Name:
Benzoic acid, 4-(2-nitrophenoxy)-, methyl ester
CAS Number:
113187-83-0
IUPAC Name:
methyl 4-(2-nitrophenoxy)benzoate
InChI:
InChI=1S/C14H11NO5/c1-19-14(16)10-6-8-11(9-7-10)20-13-5-3-2-4-12(13)15(17)18/h2-9H,1H3
InChI Key:
KRQZZFXYCIRVSB-UHFFFAOYSA-N
Properties
Complexity:
346
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:
3.1
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