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137809-73-5 | 2H-1-Benzopyran-2-one, 3-bromo-8-iodo-4-methyl-7-(2-propen-1-yloxy)-
CAS No: 137809-73-5 Catalog No: AG0013VF MDL No:
Product Description
Catalog Number:
AG0013VF
Chemical Name:
2H-1-Benzopyran-2-one, 3-bromo-8-iodo-4-methyl-7-(2-propen-1-yloxy)-
CAS Number:
137809-73-5
Molecular Formula:
C13H10BrIO3
Molecular Weight:
421.0252
IUPAC Name:
3-bromo-8-iodo-4-methyl-7-prop-2-enoxychromen-2-one
InChI:
InChI=1S/C13H10BrIO3/c1-3-6-17-9-5-4-8-7(2)10(14)13(16)18-12(8)11(9)15/h3-5H,1,6H2,2H3
InChI Key:
LOAZBGAHRPTEIW-UHFFFAOYSA-N
SMILES:
C=CCOc1ccc2c(c1I)oc(=O)c(c2C)Br
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.886g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.028g/mol
Monoisotopic Mass:
419.886g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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