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918331-62-1 | 1H-Isoindol-1-one, 5-bromo-2,3-dihydro-2-(2-methoxyphenyl)-
CAS No: 918331-62-1 Catalog No: AG006GCK MDL No:
Product Description
Catalog Number:
AG006GCK
Chemical Name:
1H-Isoindol-1-one, 5-bromo-2,3-dihydro-2-(2-methoxyphenyl)-
CAS Number:
918331-62-1
Molecular Formula:
C15H12BrNO2
Molecular Weight:
318.1653
IUPAC Name:
5-bromo-2-(2-methoxyphenyl)-3H-isoindol-1-one
InChI:
InChI=1S/C15H12BrNO2/c1-19-14-5-3-2-4-13(14)17-9-10-8-11(16)6-7-12(10)15(17)18/h2-8H,9H2,1H3
InChI Key:
ZLVHBYRLTPMBCD-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1Cc2c(C1=O)ccc(c2)Br
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.005g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.17g/mol
Monoisotopic Mass:
317.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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