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Home > Imidazoles > 866050-33-1
866050-33-1 | 2-methyl-1-[3-nitro-4-(pyrrolidin-1-yl)benzenesulfonyl]-4,5-dihydro-1H-imidazole
CAS No: 866050-33-1 Catalog No: AG00IYMK MDL No:MFCD03787353
Product Description
Catalog Number:
AG00IYMK
Chemical Name:
2-methyl-1-[3-nitro-4-(pyrrolidin-1-yl)benzenesulfonyl]-4,5-dihydro-1H-imidazole
CAS Number:
866050-33-1
Molecular Formula:
C14H18N4O4S
Molecular Weight:
338.3821
MDL Number:
MFCD03787353
IUPAC Name:
2-methyl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonyl-4,5-dihydroimidazole
InChI:
InChI=1S/C14H18N4O4S/c1-11-15-6-9-17(11)23(21,22)12-4-5-13(14(10-12)18(19)20)16-7-2-3-8-16/h4-5,10H,2-3,6-9H2,1H3
InChI Key:
KEMDMPZXYVNYMY-UHFFFAOYSA-N
SMILES:
CC1=NCCN1S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.105g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.382g/mol
Monoisotopic Mass:
338.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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