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20033-95-8 | 1-(5-Nitro-1H-benzimidazol-2-yl)ethanol
CAS No: 20033-95-8 Catalog No: AG00I3QA MDL No:MFCD02031502
Product Description
Catalog Number:
AG00I3QA
Chemical Name:
1-(5-Nitro-1H-benzimidazol-2-yl)ethanol
CAS Number:
20033-95-8
Molecular Formula:
C9H9N3O3
Molecular Weight:
207.1861
MDL Number:
MFCD02031502
IUPAC Name:
1-(6-nitro-1H-benzimidazol-2-yl)ethanol
InChI:
InChI=1S/C9H9N3O3/c1-5(13)9-10-7-3-2-6(12(14)15)4-8(7)11-9/h2-5,13H,1H3,(H,10,11)
InChI Key:
IVFGODDNHJTTBF-UHFFFAOYSA-N
SMILES:
CC(c1[nH]c2c(n1)cc(cc2)[N+](=O)[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:
207.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.189g/mol
Monoisotopic Mass:
207.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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