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Home > Nitro Compounds > 88575-35-3
88575-35-3 | 1-Naphthalenecarboxamide, 3-nitro-
CAS No: 88575-35-3 Catalog No: AG004BV1 MDL No:
Product Description
Catalog Number:
AG004BV1
Chemical Name:
1-Naphthalenecarboxamide, 3-nitro-
CAS Number:
88575-35-3
Molecular Formula:
C11H8N2O3
Molecular Weight:
216.1928
IUPAC Name:
3-nitronaphthalene-1-carboxamide
InChI:
InChI=1S/C11H8N2O3/c12-11(14)10-6-8(13(15)16)5-7-3-1-2-4-9(7)10/h1-6H,(H2,12,14)
InChI Key:
SLOJXBTUMKRJQJ-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc(cc2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.196g/mol
Monoisotopic Mass:
216.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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