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123556-60-5 | 1H-Imidazole, 1-butyl-5-chloro-4-nitro-
CAS No: 123556-60-5 Catalog No: AG000KSY MDL No:
Product Description
Catalog Number:
AG000KSY
Chemical Name:
1H-Imidazole, 1-butyl-5-chloro-4-nitro-
CAS Number:
123556-60-5
Molecular Formula:
C7H10ClN3O2
Molecular Weight:
203.6262
IUPAC Name:
1-butyl-5-chloro-4-nitroimidazole
InChI:
InChI=1S/C7H10ClN3O2/c1-2-3-4-10-5-9-7(6(10)8)11(12)13/h5H,2-4H2,1H3
InChI Key:
LRTKWSKMFZHRKQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncn(c1Cl)CCCC
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.046g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.626g/mol
Monoisotopic Mass:
203.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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