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27693-38-5

27693-38-5 | Methanone, (4-nitrophenyl)-2-pyridinyl-

CAS No: 27693-38-5 Catalog No: AG002UGY MDL No:

Product Description

Catalog Number:
AG002UGY
Chemical Name:
Methanone, (4-nitrophenyl)-2-pyridinyl-
CAS Number:
27693-38-5
Molecular Formula:
C12H8N2O3
Molecular Weight:
228.2035
IUPAC Name:
(4-nitrophenyl)-pyridin-2-ylmethanone
InChI:
InChI=1S/C12H8N2O3/c15-12(11-3-1-2-8-13-11)9-4-6-10(7-5-9)14(16)17/h1-8H
InChI Key:
DKADZZGFYHQBFQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccn1)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
153606

Properties

Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.053g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.207g/mol
Monoisotopic Mass:
228.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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