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65988-94-5 | α-Ethoxymethyl-2-nitro-1H-imidazole-1-ethanol
CAS No: 65988-94-5 Catalog No: AG00FO8V MDL No:
Product Description
Catalog Number:
AG00FO8V
Chemical Name:
α-Ethoxymethyl-2-nitro-1H-imidazole-1-ethanol
CAS Number:
65988-94-5
IUPAC Name:
1-ethoxy-3-(2-nitroimidazol-1-yl)propan-2-ol
InChI:
InChI=1S/C8H13N3O4/c1-2-15-6-7(12)5-10-4-3-9-8(10)11(13)14/h3-4,7,12H,2,5-6H2,1H3
InChI Key:
XLUFVYWWUQRZCL-UHFFFAOYSA-N
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.209g/mol
Monoisotopic Mass:
215.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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