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Home > Nitro Compounds > 728030-28-2
728030-28-2 | 1-(4-methyl-3-nitrophenyl)pyrrolidin-2-one
CAS No: 728030-28-2 Catalog No: AG00JH1D MDL No:MFCD06016820
Product Description
Catalog Number:
AG00JH1D
Chemical Name:
1-(4-methyl-3-nitrophenyl)pyrrolidin-2-one
CAS Number:
728030-28-2
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD06016820
IUPAC Name:
1-(4-methyl-3-nitrophenyl)pyrrolidin-2-one
InChI:
InChI=1S/C11H12N2O3/c1-8-4-5-9(7-10(8)13(15)16)12-6-2-3-11(12)14/h4-5,7H,2-3,6H2,1H3
InChI Key:
DWKLLJZYVYIGIV-UHFFFAOYSA-N
SMILES:
O=C1CCCN1c1ccc(c(c1)[N+](=O)[O-])C
Properties
Complexity:
300
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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