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Home > Nitro Compounds > 117321-84-3

117321-84-3

117321-84-3 | Methanone, (2-methyl-3-nitrophenyl)-1-naphthalenyl-

CAS No: 117321-84-3 Catalog No: AG000E45 MDL No:

Product Description

Catalog Number:
AG000E45
Chemical Name:
Methanone, (2-methyl-3-nitrophenyl)-1-naphthalenyl-
CAS Number:
117321-84-3
Molecular Formula:
C18H13NO3
Molecular Weight:
291.3007
IUPAC Name:
(2-methyl-3-nitrophenyl)-naphthalen-1-ylmethanone
InChI:
InChI=1S/C18H13NO3/c1-12-14(9-5-11-17(12)19(21)22)18(20)16-10-4-7-13-6-2-3-8-15(13)16/h2-11H,1H3
InChI Key:
PHEQYKQFVHUONK-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1C)[N+](=O)[O-])c1cccc2c1cccc2

Properties

Complexity:
431  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.09g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.306g/mol
Monoisotopic Mass:
291.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

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