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Home > Nitro Compounds > 2735-71-9
2735-71-9 | 1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol
CAS No: 2735-71-9 Catalog No: AG00J08I MDL No:MFCD00222226
Product Description
Catalog Number:
AG00J08I
Chemical Name:
1-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)ethan-1-ol
CAS Number:
2735-71-9
Molecular Formula:
C10H11N3O3
Molecular Weight:
221.2126
MDL Number:
MFCD00222226
IUPAC Name:
1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol
InChI:
InChI=1S/C10H11N3O3/c1-6(14)10-11-8-5-7(13(15)16)3-4-9(8)12(10)2/h3-6,14H,1-2H3
InChI Key:
FEZKCWBNANSUJS-UHFFFAOYSA-N
SMILES:
CC(c1nc2c(n1C)ccc(c2)[N+](=O)[O-])O
Properties
Complexity:
281
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:
1
Isotope Atom Count:
0
Molecular Weight:
221.216g/mol
Monoisotopic Mass:
221.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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