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790681-49-1 | 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzamide
CAS No: 790681-49-1 Catalog No: AG00ID04 MDL No:MFCD06358618
Product Description
Catalog Number:
AG00ID04
Chemical Name:
4-[(1,3-Dioxoisoindol-2-yl)methyl]benzamide
CAS Number:
790681-49-1
Molecular Formula:
C16H12N2O3
Molecular Weight:
280.2781
MDL Number:
MFCD06358618
IUPAC Name:
4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
InChI:
InChI=1S/C16H12N2O3/c17-14(19)11-7-5-10(6-8-11)9-18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8H,9H2,(H2,17,19)
InChI Key:
JBJSDZAIGWLMJA-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(cc1)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.283g/mol
Monoisotopic Mass:
280.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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