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68160-71-4 | 2-Nitro-alpha-((1-propenyloxy)methyl)imidazole-1-ethanol
CAS No: 68160-71-4 Catalog No: AG005ZGT MDL No:
Product Description
Catalog Number:
AG005ZGT
Chemical Name:
2-Nitro-alpha-((1-propenyloxy)methyl)imidazole-1-ethanol
CAS Number:
68160-71-4
Molecular Formula:
C9H13N3O4
Molecular Weight:
227.2172
IUPAC Name:
1-(2-nitroimidazol-1-yl)-3-[(E)-prop-1-enoxy]propan-2-ol
InChI:
InChI=1S/C9H13N3O4/c1-2-5-16-7-8(13)6-11-4-3-10-9(11)12(14)15/h2-5,8,13H,6-7H2,1H3/b5-2+
InChI Key:
XVAVDAAXADYTPR-GORDUTHDSA-N
SMILES:
CC=COCC(Cn1ccnc1[N+](=O)[O-])O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
227.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.22g/mol
Monoisotopic Mass:
227.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Structure/activity relationships for the enhancement by electron-affinic drugs of the anti-tumour effect of CCNU. | British journal of cancer 19820801 |
| Enhancement by electron-affinic agents of the therapeutic effects of cytotoxic agents against the KHT tumor: structure-activity relationships. | International journal of radiation oncology, biology, physics 19820101 |
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