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1208077-85-3 | 1-iodo-3-methyl-2-(propan-2-yloxy)benzene
CAS No: 1208077-85-3 Catalog No: AG00KI57 MDL No:MFCD12547887
Product Description
Catalog Number:
AG00KI57
Chemical Name:
1-iodo-3-methyl-2-(propan-2-yloxy)benzene
CAS Number:
1208077-85-3
Molecular Formula:
C10H13IO
Molecular Weight:
276.1141
MDL Number:
MFCD12547887
IUPAC Name:
1-iodo-3-methyl-2-propan-2-yloxybenzene
InChI:
InChI=1S/C10H13IO/c1-7(2)12-10-8(3)5-4-6-9(10)11/h4-7H,1-3H3
InChI Key:
CYWGKQIXUCLABJ-UHFFFAOYSA-N
SMILES:
CC(Oc1c(C)cccc1I)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.001g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.117g/mol
Monoisotopic Mass:
276.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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