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701899-63-0 | 2-(2-(2-Methyl-1H-imidazol-5-yl)ethyl)isoindoline-1,3-dione
CAS No: 701899-63-0 Catalog No: AG00IC0X MDL No:MFCD28101755
Product Description
Catalog Number:
AG00IC0X
Chemical Name:
2-(2-(2-Methyl-1H-imidazol-5-yl)ethyl)isoindoline-1,3-dione
CAS Number:
701899-63-0
Molecular Formula:
C14H13N3O2
Molecular Weight:
255.2719
MDL Number:
MFCD28101755
IUPAC Name:
2-[2-(2-methyl-1H-imidazol-5-yl)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C14H13N3O2/c1-9-15-8-10(16-9)6-7-17-13(18)11-4-2-3-5-12(11)14(17)19/h2-5,8H,6-7H2,1H3,(H,15,16)
InChI Key:
QTGYNKYZRZATJB-UHFFFAOYSA-N
SMILES:
O=C1N(CCc2cnc([nH]2)C)C(=O)c2c1cccc2
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.277g/mol
Monoisotopic Mass:
255.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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