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635728-14-2 | 1,4-Dioxa-9-azadispiro[4.2.4.2]tetradecane, 11-iodo-9-(phenylmethyl)-
CAS No: 635728-14-2 Catalog No: AG00IB8L MDL No:MFCD28166312
Product Description
Catalog Number:
AG00IB8L
Chemical Name:
1,4-Dioxa-9-azadispiro[4.2.4.2]tetradecane, 11-iodo-9-(phenylmethyl)-
CAS Number:
635728-14-2
Molecular Formula:
C18H24INO2
Molecular Weight:
413.2931
MDL Number:
MFCD28166312
IUPAC Name:
4-benzyl-2-iodo-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane
InChI:
InChI=1S/C18H24INO2/c19-16-12-17(6-8-18(9-7-17)21-10-11-22-18)20(14-16)13-15-4-2-1-3-5-15/h1-5,16H,6-14H2
InChI Key:
OQRFPUIWLRKDBA-UHFFFAOYSA-N
SMILES:
IC1CN(C2(C1)CCC1(CC2)OCCO1)Cc1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.085g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
413.299g/mol
Monoisotopic Mass:
413.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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