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88135-12-0 | Ethanol, 2-[(2-nitro-1H-imidazol-1-yl)methoxy]-
CAS No: 88135-12-0 Catalog No: AG004HSF MDL No:
Product Description
Catalog Number:
AG004HSF
Chemical Name:
Ethanol, 2-[(2-nitro-1H-imidazol-1-yl)methoxy]-
CAS Number:
88135-12-0
Molecular Formula:
C6H9N3O4
Molecular Weight:
187.1534
IUPAC Name:
2-[(2-nitroimidazol-1-yl)methoxy]ethanol
InChI:
InChI=1S/C6H9N3O4/c10-3-4-13-5-8-2-1-7-6(8)9(11)12/h1-2,10H,3-5H2
InChI Key:
MXOGOOYEWPLTOB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nccn1COCCO
NSC Number:
628865
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.155g/mol
Monoisotopic Mass:
187.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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