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Home > Nitro Compounds > 116687-72-0
116687-72-0 | Benzoic acid, 2-methoxy-, (2-hydroxy-3-nitrobenzoyl)azanyl ester
CAS No: 116687-72-0 Catalog No: AG000CZT MDL No:
Product Description
Catalog Number:
AG000CZT
Chemical Name:
Benzoic acid, 2-methoxy-, (2-hydroxy-3-nitrobenzoyl)azanyl ester
CAS Number:
116687-72-0
Molecular Formula:
C15H12N2O7
Molecular Weight:
332.2650
IUPAC Name:
[(2-hydroxy-3-nitrobenzoyl)amino] 2-methoxybenzoate
InChI:
InChI=1S/C15H12N2O7/c1-23-12-8-3-2-5-9(12)15(20)24-16-14(19)10-6-4-7-11(13(10)18)17(21)22/h2-8,18H,1H3,(H,16,19)
InChI Key:
ZWLWRXKXAPZDQZ-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(=O)ONC(=O)c1cccc(c1O)[N+](=O)[O-]
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.064g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.268g/mol
Monoisotopic Mass:
332.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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