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669713-66-0 | N-BENZYL OXYMETHYL-4-NITRO-IMIDAZOLE
CAS No: 669713-66-0 Catalog No: AG00FAWY MDL No:
Product Description
Catalog Number:
AG00FAWY
Chemical Name:
N-BENZYL OXYMETHYL-4-NITRO-IMIDAZOLE
CAS Number:
669713-66-0
IUPAC Name:
4-nitro-1-(phenylmethoxymethyl)imidazole
InChI:
InChI=1S/C11H11N3O3/c15-14(16)11-6-13(8-12-11)9-17-7-10-4-2-1-3-5-10/h1-6,8H,7,9H2
InChI Key:
TXXYYOUBDOAQDT-UHFFFAOYSA-N
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.227g/mol
Monoisotopic Mass:
233.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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