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357302-54-6 | 1-[3-(2,3-dihydro-1H-isoindol-2-yl)phenyl]ethan-1-one
CAS No: 357302-54-6 Catalog No: AG00IP4E MDL No:MFCD01310023
Product Description
Catalog Number:
AG00IP4E
Chemical Name:
1-[3-(2,3-dihydro-1H-isoindol-2-yl)phenyl]ethan-1-one
CAS Number:
357302-54-6
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
MDL Number:
MFCD01310023
IUPAC Name:
1-[3-(1,3-dihydroisoindol-2-yl)phenyl]ethanone
InChI:
InChI=1S/C16H15NO/c1-12(18)13-7-4-8-16(9-13)17-10-14-5-2-3-6-15(14)11-17/h2-9H,10-11H2,1H3
InChI Key:
FXTFOHXGXTYBEU-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1)N1Cc2c(C1)cccc2
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.302g/mol
Monoisotopic Mass:
237.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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