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100060-84-2 | 2-Pentanone, 4-[(4-nitrophenyl)imino]-
CAS No: 100060-84-2 Catalog No: AG0000SC MDL No:
Product Description
Catalog Number:
AG0000SC
Chemical Name:
2-Pentanone, 4-[(4-nitrophenyl)imino]-
CAS Number:
100060-84-2
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
IUPAC Name:
4-(4-nitrophenyl)iminopentan-2-one
InChI:
InChI=1S/C11H12N2O3/c1-8(7-9(2)14)12-10-3-5-11(6-4-10)13(15)16/h3-6H,7H2,1-2H3
InChI Key:
KNBUYZVBVBGNPG-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=Nc1ccc(cc1)[N+](=O)[O-])C
NSC Number:
162730
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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