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850734-90-6 | 1H-Benzimidazole, 1-(2-methoxyethyl)-5-nitro-
CAS No: 850734-90-6 Catalog No: AG004RQU MDL No:
Product Description
Catalog Number:
AG004RQU
Chemical Name:
1H-Benzimidazole, 1-(2-methoxyethyl)-5-nitro-
CAS Number:
850734-90-6
Molecular Formula:
C10H11N3O3
Molecular Weight:
221.2126
IUPAC Name:
1-(2-methoxyethyl)-5-nitrobenzimidazole
InChI:
InChI=1S/C10H11N3O3/c1-16-5-4-12-7-11-9-6-8(13(14)15)2-3-10(9)12/h2-3,6-7H,4-5H2,1H3
InChI Key:
ZCDGZECQLRBISK-UHFFFAOYSA-N
SMILES:
COCCn1cnc2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.216g/mol
Monoisotopic Mass:
221.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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