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Home > Nitro Compounds > 81864-14-4
81864-14-4 | N-(6-Nitrobenzo[d][1,3]dioxol-5-yl)acetamide
CAS No: 81864-14-4 Catalog No: AG00567F MDL No:MFCD00188397
Product Description
Catalog Number:
AG00567F
Chemical Name:
N-(6-Nitrobenzo[d][1,3]dioxol-5-yl)acetamide
CAS Number:
81864-14-4
Molecular Formula:
C9H8N2O5
Molecular Weight:
224.1702
MDL Number:
MFCD00188397
IUPAC Name:
N-(6-nitro-1,3-benzodioxol-5-yl)acetamide
InChI:
InChI=1S/C9H8N2O5/c1-5(12)10-6-2-8-9(16-4-15-8)3-7(6)11(13)14/h2-3H,4H2,1H3,(H,10,12)
InChI Key:
JVGRDSBPPKBVBI-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc2OCOc2cc1[N+](=O)[O-]
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.172g/mol
Monoisotopic Mass:
224.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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