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Home > Bromides > 1208075-30-2
1208075-30-2 | Methyl 3-Bromo-4-iodophenylacetate
CAS No: 1208075-30-2 Catalog No: AG01FE3D MDL No:MFCD12547826
Product Description
Catalog Number:
AG01FE3D
Chemical Name:
Methyl 3-Bromo-4-iodophenylacetate
CAS Number:
1208075-30-2
Molecular Formula:
C9H8BrIO2
Molecular Weight:
354.9671
MDL Number:
MFCD12547826
IUPAC Name:
methyl 2-(3-bromo-4-iodophenyl)acetate
InChI:
InChI=1S/C9H8BrIO2/c1-13-9(12)5-6-2-3-8(11)7(10)4-6/h2-4H,5H2,1H3
InChI Key:
YSQISPDDCMZLFK-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(c(c1)Br)I
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.875g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.969g/mol
Monoisotopic Mass:
353.875g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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