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909119-73-9 | 4-IODO-1-METHOXY-2-(PENTYLOXY)BENZENE
CAS No: 909119-73-9 Catalog No: AG006GFX MDL No:
Product Description
Catalog Number:
AG006GFX
Chemical Name:
4-IODO-1-METHOXY-2-(PENTYLOXY)BENZENE
CAS Number:
909119-73-9
Molecular Formula:
C12H17IO2
Molecular Weight:
320.1666
IUPAC Name:
4-iodo-1-methoxy-2-pentoxybenzene
InChI:
InChI=1S/C12H17IO2/c1-3-4-5-8-15-12-9-10(13)6-7-11(12)14-2/h6-7,9H,3-5,8H2,1-2H3
InChI Key:
ZQBWSCPXIKDJND-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc(I)ccc1OC
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.027g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.17g/mol
Monoisotopic Mass:
320.027g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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