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436091-93-9 | 5-Iodo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-one
CAS No: 436091-93-9 Catalog No: AG00E4S2 MDL No:MFCD18648151
Product Description
Catalog Number:
AG00E4S2
Chemical Name:
5-Iodo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-one
CAS Number:
436091-93-9
Molecular Formula:
C11H11IO2
Molecular Weight:
302.1083
MDL Number:
MFCD18648151
IUPAC Name:
5-iodo-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C11H11IO2/c1-14-10-6-5-7-8(11(10)12)3-2-4-9(7)13/h5-6H,2-4H2,1H3
InChI Key:
ADSKUECQOUAYQU-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1I)CCCC2=O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.98g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.111g/mol
Monoisotopic Mass:
301.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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