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Home > Nitro Compounds > 1269492-17-2
1269492-17-2 | Benzoic acid, 2-[2-(methoxycarbonyl)phenoxy]-5-nitro-, methyl ester
CAS No: 1269492-17-2 Catalog No: AG000WFW MDL No:MFCD17015022
Product Description
Catalog Number:
AG000WFW
Chemical Name:
Benzoic acid, 2-[2-(methoxycarbonyl)phenoxy]-5-nitro-, methyl ester
CAS Number:
1269492-17-2
Molecular Formula:
C16H13NO7
Molecular Weight:
331.2769
MDL Number:
MFCD17015022
IUPAC Name:
methyl 2-(2-methoxycarbonylphenoxy)-5-nitrobenzoate
InChI:
InChI=1S/C16H13NO7/c1-22-15(18)11-5-3-4-6-13(11)24-14-8-7-10(17(20)21)9-12(14)16(19)23-2/h3-9H,1-2H3
InChI Key:
CCBUXFPOABQLFL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1Oc1ccccc1C(=O)OC)[N+](=O)[O-]
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.069g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.28g/mol
Monoisotopic Mass:
331.069g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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