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Home > Nitro Compounds > 56136-84-6
56136-84-6 | 1-(6-Nitrobenzo[d][1,3]dioxol-5-yl)ethanone
CAS No: 56136-84-6 Catalog No: AG003KIR MDL No:MFCD00053045
Product Description
Catalog Number:
AG003KIR
Chemical Name:
1-(6-Nitrobenzo[d][1,3]dioxol-5-yl)ethanone
CAS Number:
56136-84-6
Molecular Formula:
C9H7NO5
Molecular Weight:
209.1556
MDL Number:
MFCD00053045
IUPAC Name:
1-(6-nitro-1,3-benzodioxol-5-yl)ethanone
InChI:
InChI=1S/C9H7NO5/c1-5(11)6-2-8-9(15-4-14-8)3-7(6)10(12)13/h2-3H,4H2,1H3
InChI Key:
BQONDGIXVHVIIR-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc2OCOc2cc1[N+](=O)[O-]
EC Number:
260-010-8
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.157g/mol
Monoisotopic Mass:
209.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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