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49617-78-9 | 1-(Bromomethyl)-3,5-diiodobenzene
CAS No: 49617-78-9 Catalog No: AG01EW65 MDL No:
Product Description
Catalog Number:
AG01EW65
Chemical Name:
1-(Bromomethyl)-3,5-diiodobenzene
CAS Number:
49617-78-9
Molecular Formula:
C7H5BrI2
Molecular Weight:
422.8275
IUPAC Name:
1-(bromomethyl)-3,5-diiodobenzene
InChI:
InChI=1S/C7H5BrI2/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2
InChI Key:
NVJVLFPJACZVIE-UHFFFAOYSA-N
SMILES:
BrCc1cc(I)cc(c1)I
Properties
Complexity:
97.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.766g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.83g/mol
Monoisotopic Mass:
421.766g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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