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Home > Nitro Compounds > 832117-49-4
832117-49-4 | Benzamide, 2-methyl-6-nitro-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-
CAS No: 832117-49-4 Catalog No: AG004UMV MDL No:
Product Description
Catalog Number:
AG004UMV
Chemical Name:
Benzamide, 2-methyl-6-nitro-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-
CAS Number:
832117-49-4
Molecular Formula:
C15H19N3O4
Molecular Weight:
305.3291
IUPAC Name:
2-methyl-6-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
InChI:
InChI=1S/C15H19N3O4/c1-11-5-2-6-12(18(21)22)14(11)15(20)16-8-4-10-17-9-3-7-13(17)19/h2,5-6H,3-4,7-10H2,1H3,(H,16,20)
InChI Key:
MXPXNWRUIFGDJD-UHFFFAOYSA-N
SMILES:
O=C1CCCN1CCCNC(=O)c1c(C)cccc1[N+](=O)[O-]
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.138g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.334g/mol
Monoisotopic Mass:
305.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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