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65426-59-7 | 2-Nitroterephthalamide
CAS No: 65426-59-7 Catalog No: AG01ECJV MDL No:
Product Description
Catalog Number:
AG01ECJV
Chemical Name:
2-Nitroterephthalamide
CAS Number:
65426-59-7
IUPAC Name:
2-nitrobenzene-1,4-dicarboxamide
InChI:
InChI=1S/C8H7N3O4/c9-7(12)4-1-2-5(8(10)13)6(3-4)11(14)15/h1-3H,(H2,9,12)(H2,10,13)
InChI Key:
KTBCABLQCOTTPG-UHFFFAOYSA-N
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.161g/mol
Monoisotopic Mass:
209.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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