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Home > Nitro Compounds > 72744-45-7
72744-45-7 | 4-Nitrobenzo[d][1,3]dioxole
CAS No: 72744-45-7 Catalog No: AG005POG MDL No:MFCD23135259
Product Description
Catalog Number:
AG005POG
Chemical Name:
4-Nitrobenzo[d][1,3]dioxole
CAS Number:
72744-45-7
Molecular Formula:
C7H5NO4
Molecular Weight:
167.1189
MDL Number:
MFCD23135259
IUPAC Name:
4-nitro-1,3-benzodioxole
InChI:
InChI=1S/C7H5NO4/c9-8(10)5-2-1-3-6-7(5)12-4-11-6/h1-3H,4H2
InChI Key:
FVGROLQRSPXAHI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1OCO2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.12g/mol
Monoisotopic Mass:
167.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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