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139190-48-0 | 2H-1-Benzopyran-2-one, 4-(bromomethyl)-3-iodo-6,7-dimethoxy-
CAS No: 139190-48-0 Catalog No: AG001AGF MDL No:
Product Description
Catalog Number:
AG001AGF
Chemical Name:
2H-1-Benzopyran-2-one, 4-(bromomethyl)-3-iodo-6,7-dimethoxy-
CAS Number:
139190-48-0
Molecular Formula:
C12H10BrIO4
Molecular Weight:
425.0139
IUPAC Name:
4-(bromomethyl)-3-iodo-6,7-dimethoxychromen-2-one
InChI:
InChI=1S/C12H10BrIO4/c1-16-9-3-6-7(5-13)11(14)12(15)18-8(6)4-10(9)17-2/h3-4H,5H2,1-2H3
InChI Key:
OSEMYBUXBKBZSY-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)oc(=O)c(c2CBr)I
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.881g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
425.016g/mol
Monoisotopic Mass:
423.881g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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