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174518-83-3 | Benzene, 1-bromo-5-iodo-2,3,4-trimethoxy-
CAS No: 174518-83-3 Catalog No: AG001ZQE MDL No:
Product Description
Catalog Number:
AG001ZQE
Chemical Name:
Benzene, 1-bromo-5-iodo-2,3,4-trimethoxy-
CAS Number:
174518-83-3
Molecular Formula:
C9H10BrIO3
Molecular Weight:
372.9824
IUPAC Name:
1-bromo-5-iodo-2,3,4-trimethoxybenzene
InChI:
InChI=1S/C9H10BrIO3/c1-12-7-5(10)4-6(11)8(13-2)9(7)14-3/h4H,1-3H3
InChI Key:
JIOWZHSIGCLLGT-UHFFFAOYSA-N
SMILES:
COc1c(OC)c(Br)cc(c1OC)I
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.886g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.984g/mol
Monoisotopic Mass:
371.886g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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