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1262415-84-8 | 1H-Isoindol-1-one, 5-chloro-2,3-dihydro-6-iodo-2-(phenylmethyl)-
CAS No: 1262415-84-8 Catalog No: AG000SES MDL No:MFCD19443337
Product Description
Catalog Number:
AG000SES
Chemical Name:
1H-Isoindol-1-one, 5-chloro-2,3-dihydro-6-iodo-2-(phenylmethyl)-
CAS Number:
1262415-84-8
Molecular Formula:
C15H11ClINO
Molecular Weight:
383.6114
MDL Number:
MFCD19443337
IUPAC Name:
2-benzyl-5-chloro-6-iodo-3H-isoindol-1-one
InChI:
InChI=1S/C15H11ClINO/c16-13-6-11-9-18(8-10-4-2-1-3-5-10)15(19)12(11)7-14(13)17/h1-7H,8-9H2
InChI Key:
AXECCAPQGCUHCT-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccccc2)Cc2c1cc(I)c(c2)Cl
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.957g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.613g/mol
Monoisotopic Mass:
382.957g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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