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874764-42-8 | Benzoic acid, 3-iodo-4-(methylseleno)-, methyl ester
CAS No: 874764-42-8 Catalog No: AG004I6Y MDL No:
Product Description
Catalog Number:
AG004I6Y
Chemical Name:
Benzoic acid, 3-iodo-4-(methylseleno)-, methyl ester
CAS Number:
874764-42-8
Molecular Formula:
C9H9IO2Se
Molecular Weight:
355.0310
IUPAC Name:
methyl 3-iodo-4-methylselanylbenzoate
InChI:
InChI=1S/C9H9IO2Se/c1-12-9(11)6-3-4-8(13-2)7(10)5-6/h3-5H,1-2H3
InChI Key:
HMUUONVLXFUDPP-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)I)[Se]C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.881g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.044g/mol
Monoisotopic Mass:
355.881g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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