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Home > Nitro Compounds > 89278-27-3
89278-27-3 | Methanone, (4-nitro-1-naphthalenyl)phenyl-
CAS No: 89278-27-3 Catalog No: AG00416O MDL No:
Product Description
Catalog Number:
AG00416O
Chemical Name:
Methanone, (4-nitro-1-naphthalenyl)phenyl-
CAS Number:
89278-27-3
Molecular Formula:
C17H11NO3
Molecular Weight:
277.2741
IUPAC Name:
(4-nitronaphthalen-1-yl)-phenylmethanone
InChI:
InChI=1S/C17H11NO3/c19-17(12-6-2-1-3-7-12)15-10-11-16(18(20)21)14-9-5-4-8-13(14)15/h1-11H
InChI Key:
RRNSZOBBEIRRKX-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c2c1cccc2)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.074g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.279g/mol
Monoisotopic Mass:
277.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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