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175278-30-5 | Benzene, 4-bromo-2-ethyl-1-iodo-
CAS No: 175278-30-5 Catalog No: AG0020UF MDL No:MFCD00221458
Product Description
Catalog Number:
AG0020UF
Chemical Name:
Benzene, 4-bromo-2-ethyl-1-iodo-
CAS Number:
175278-30-5
Molecular Formula:
C8H8BrI
Molecular Weight:
310.9576
MDL Number:
MFCD00221458
IUPAC Name:
4-bromo-2-ethyl-1-iodobenzene
InChI:
InChI=1S/C8H8BrI/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2H2,1H3
InChI Key:
JWKQXPHYKRQLEJ-UHFFFAOYSA-N
SMILES:
CCc1cc(Br)ccc1I
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.885g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.96g/mol
Monoisotopic Mass:
309.885g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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