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Home > Nitro Compounds > 650594-28-8
650594-28-8 | 1-(5-Methyl-2,4-dinitrophenyl)pyrrolidin-2-one
CAS No: 650594-28-8 Catalog No: AG01EA3U MDL No:
Product Description
Catalog Number:
AG01EA3U
Chemical Name:
1-(5-Methyl-2,4-dinitrophenyl)pyrrolidin-2-one
CAS Number:
650594-28-8
Molecular Formula:
C11H11N3O5
Molecular Weight:
265.2221
IUPAC Name:
1-(5-methyl-2,4-dinitrophenyl)pyrrolidin-2-one
InChI:
InChI=1S/C11H11N3O5/c1-7-5-9(12-4-2-3-11(12)15)10(14(18)19)6-8(7)13(16)17/h5-6H,2-4H2,1H3
InChI Key:
YHLYJZGPEYFLNF-UHFFFAOYSA-N
SMILES:
O=C1CCCN1c1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.225g/mol
Monoisotopic Mass:
265.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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