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75056-76-7 | Benzene,1-iodo-2,5-dimethoxy-4-methyl-
CAS No: 75056-76-7 Catalog No: AG0057AK MDL No:MFCD00092757
Product Description
Catalog Number:
AG0057AK
Chemical Name:
Benzene,1-iodo-2,5-dimethoxy-4-methyl-
CAS Number:
75056-76-7
Molecular Formula:
C9H11IO2
Molecular Weight:
278.0869
MDL Number:
MFCD00092757
IUPAC Name:
1-iodo-2,5-dimethoxy-4-methylbenzene
InChI:
InChI=1S/C9H11IO2/c1-6-4-9(12-3)7(10)5-8(6)11-2/h4-5H,1-3H3
InChI Key:
BNVXMDDALQKRFP-UHFFFAOYSA-N
SMILES:
COc1cc(I)c(cc1C)OC
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.98g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.089g/mol
Monoisotopic Mass:
277.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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