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Home > Imidazoles > 1351620-84-2
1351620-84-2 | 2-[(3-Nitrobenzyl)thio]-4,5-dihydro-1H-imidazole hydrochloride
CAS No: 1351620-84-2 Catalog No: AG01AQU5 MDL No:MFCD16661057
Product Description
Catalog Number:
AG01AQU5
Chemical Name:
2-[(3-Nitrobenzyl)thio]-4,5-dihydro-1H-imidazole hydrochloride
CAS Number:
1351620-84-2
Molecular Formula:
C10H12ClN3O2S
Molecular Weight:
273.7392
MDL Number:
MFCD16661057
IUPAC Name:
2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride
InChI:
InChI=1S/C10H11N3O2S.ClH/c14-13(15)9-3-1-2-8(6-9)7-16-10-11-4-5-12-10;/h1-3,6H,4-5,7H2,(H,11,12);1H
InChI Key:
XKVGLPLVIXKDPI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)CSC1=NCCN1.Cl
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.034g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.735g/mol
Monoisotopic Mass:
273.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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