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Home > Nitro Compounds > 861379-38-6
861379-38-6 | N-(2-Nitrophenacyl)phthalimide
CAS No: 861379-38-6 Catalog No: AG00IDXD MDL No:MFCD18908908
Product Description
Catalog Number:
AG00IDXD
Chemical Name:
N-(2-Nitrophenacyl)phthalimide
CAS Number:
861379-38-6
Molecular Formula:
C16H10N2O5
Molecular Weight:
310.2610
MDL Number:
MFCD18908908
IUPAC Name:
2-[2-(2-nitrophenyl)-2-oxoethyl]isoindole-1,3-dione
InChI:
InChI=1S/C16H10N2O5/c19-14(12-7-3-4-8-13(12)18(22)23)9-17-15(20)10-5-1-2-6-11(10)16(17)21/h1-8H,9H2
InChI Key:
TYKSKIMTKMBEHR-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1[N+](=O)[O-])CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.059g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.265g/mol
Monoisotopic Mass:
310.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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