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70887-29-5 | Benzene, 1-(iodomethyl)-4-methoxy-
CAS No: 70887-29-5 Catalog No: AG005FOU MDL No:MFCD20414671
Product Description
Catalog Number:
AG005FOU
Chemical Name:
Benzene, 1-(iodomethyl)-4-methoxy-
CAS Number:
70887-29-5
Molecular Formula:
C8H9IO
Molecular Weight:
248.0609
MDL Number:
MFCD20414671
IUPAC Name:
1-(iodomethyl)-4-methoxybenzene
InChI:
InChI=1S/C8H9IO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
InChI Key:
DZOJRAXIUZWNIN-UHFFFAOYSA-N
SMILES:
ICc1ccc(cc1)OC
Properties
Complexity:
87.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.97g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.063g/mol
Monoisotopic Mass:
247.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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