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Home > Nitro Compounds > 379255-00-2
379255-00-2 | 3-methyl-1-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]-4,5-dihydro-1H-pyrazol-5-one
CAS No: 379255-00-2 Catalog No: AG019P0N MDL No:MFCD03147320
Product Description
Catalog Number:
AG019P0N
Chemical Name:
3-methyl-1-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]-4,5-dihydro-1H-pyrazol-5-one
CAS Number:
379255-00-2
Molecular Formula:
C14H16N4O6S
Molecular Weight:
368.3650
MDL Number:
MFCD03147320
IUPAC Name:
5-methyl-2-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-4H-pyrazol-3-one
InChI:
InChI=1S/C14H16N4O6S/c1-10-8-14(19)17(15-10)12-3-2-11(9-13(12)18(20)21)25(22,23)16-4-6-24-7-5-16/h2-3,9H,4-8H2,1H3
InChI Key:
YSEWOKHCDBYIIK-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCOCC1
Properties
Complexity:
676
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.079g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.364g/mol
Monoisotopic Mass:
368.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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