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159790-78-0 | 1H-Imidazole, 5-nitro-1-(phenylmethyl)-
CAS No: 159790-78-0 Catalog No: AG001RDX MDL No:MFCD04972447
Product Description
Catalog Number:
AG001RDX
Chemical Name:
1H-Imidazole, 5-nitro-1-(phenylmethyl)-
CAS Number:
159790-78-0
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD04972447
IUPAC Name:
1-benzyl-5-nitroimidazole
InChI:
InChI=1S/C10H9N3O2/c14-13(15)10-6-11-8-12(10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChI Key:
ORVKJGIRFOONOE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cncn1Cc1ccccc1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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