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1000535-33-0 | 1H-Isoindole-1,3(2H)-dione, 2-[2-[4-(2-chloroethyl)phenyl]ethyl]-
CAS No: 1000535-33-0 Catalog No: AG0000PP MDL No:
Product Description
Catalog Number:
AG0000PP
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-[4-(2-chloroethyl)phenyl]ethyl]-
CAS Number:
1000535-33-0
Molecular Formula:
C18H16ClNO2
Molecular Weight:
313.7781
IUPAC Name:
2-[2-[4-(2-chloroethyl)phenyl]ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C18H16ClNO2/c19-11-9-13-5-7-14(8-6-13)10-12-20-17(21)15-3-1-2-4-16(15)18(20)22/h1-8H,9-12H2
InChI Key:
VTYIGANHWXAKGM-UHFFFAOYSA-N
SMILES:
ClCCc1ccc(cc1)CCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.087g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.781g/mol
Monoisotopic Mass:
313.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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