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Home > Nitro Compounds > 782-71-8
782-71-8 | Peroxide, acetyl 3-nitrobenzoyl
CAS No: 782-71-8 Catalog No: AG005C0T MDL No:
Product Description
Catalog Number:
AG005C0T
Chemical Name:
Peroxide, acetyl 3-nitrobenzoyl
CAS Number:
782-71-8
Molecular Formula:
C9H7NO6
Molecular Weight:
225.1550
IUPAC Name:
acetyl 3-nitrobenzenecarboperoxoate
InChI:
InChI=1S/C9H7NO6/c1-6(11)15-16-9(12)7-3-2-4-8(5-7)10(13)14/h2-5H,1H3
InChI Key:
WUEKMDMNXSWXHH-UHFFFAOYSA-N
SMILES:
CC(=O)OOC(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.027g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.156g/mol
Monoisotopic Mass:
225.027g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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