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159559-71-4 | 2-Naphthalenol, 5,6,7,8-tetrahydro-7-[(3-iodo-2-propen-1-yl)propylamino]-
CAS No: 159559-71-4 Catalog No: AG001R5M MDL No:
Product Description
Catalog Number:
AG001R5M
Chemical Name:
2-Naphthalenol, 5,6,7,8-tetrahydro-7-[(3-iodo-2-propen-1-yl)propylamino]-
CAS Number:
159559-71-4
Molecular Formula:
C16H22INO
Molecular Weight:
371.2565
IUPAC Name:
7-[3-iodoprop-2-enyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
InChI:
InChI=1S/C16H22INO/c1-2-9-18(10-3-8-17)15-6-4-13-5-7-16(19)12-14(13)11-15/h3,5,7-8,12,15,19H,2,4,6,9-11H2,1H3
InChI Key:
RTMIJLQPWFKAFE-UHFFFAOYSA-N
SMILES:
CCCN(C1CCc2c(C1)cc(cc2)O)CC=CI
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.262g/mol
Monoisotopic Mass:
371.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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