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Home > Bromides > 1805591-75-6
1805591-75-6 | Benzene, 2-bromo-5-fluoro-1-iodo-3-methyl-
CAS No: 1805591-75-6 Catalog No: AG00223D MDL No:MFCD28739615
Product Description
Catalog Number:
AG00223D
Chemical Name:
Benzene, 2-bromo-5-fluoro-1-iodo-3-methyl-
CAS Number:
1805591-75-6
Molecular Formula:
C7H5BrFI
Molecular Weight:
314.9215
MDL Number:
MFCD28739615
IUPAC Name:
2-bromo-5-fluoro-1-iodo-3-methylbenzene
InChI:
InChI=1S/C7H5BrFI/c1-4-2-5(9)3-6(10)7(4)8/h2-3H,1H3
InChI Key:
NMMJYGWKKQCPOY-UHFFFAOYSA-N
SMILES:
Fc1cc(C)c(c(c1)I)Br
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.86g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.924g/mol
Monoisotopic Mass:
313.86g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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