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42758-54-3 | 1-Naphthalenecarboxaldehyde, 4-nitro-
CAS No: 42758-54-3 Catalog No: AG0071O7 MDL No:
Product Description
Catalog Number:
AG0071O7
Chemical Name:
1-Naphthalenecarboxaldehyde, 4-nitro-
CAS Number:
42758-54-3
Molecular Formula:
C11H7NO3
Molecular Weight:
201.1782
IUPAC Name:
4-nitronaphthalene-1-carbaldehyde
InChI:
InChI=1S/C11H7NO3/c13-7-8-5-6-11(12(14)15)10-4-2-1-3-9(8)10/h1-7H
InChI Key:
FQEPRUKGWGZQFA-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.181g/mol
Monoisotopic Mass:
201.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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