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137300-31-3 | Benzene, 2-iodo-1-(methoxymethyl)-3-methyl-
CAS No: 137300-31-3 Catalog No: AG00132E MDL No:
Product Description
Catalog Number:
AG00132E
Chemical Name:
Benzene, 2-iodo-1-(methoxymethyl)-3-methyl-
CAS Number:
137300-31-3
Molecular Formula:
C9H11IO
Molecular Weight:
262.0875
IUPAC Name:
2-iodo-1-(methoxymethyl)-3-methylbenzene
InChI:
InChI=1S/C9H11IO/c1-7-4-3-5-8(6-11-2)9(7)10/h3-5H,6H2,1-2H3
InChI Key:
PSBCMBYVIJVGOO-UHFFFAOYSA-N
SMILES:
COCc1cccc(c1I)C
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.985g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.09g/mol
Monoisotopic Mass:
261.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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