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Home > Bromides > 1261481-48-4
1261481-48-4 | Benzene, 2-(bromomethyl)-1-iodo-3-methyl-
CAS No: 1261481-48-4 Catalog No: AG000RT0 MDL No:
Product Description
Catalog Number:
AG000RT0
Chemical Name:
Benzene, 2-(bromomethyl)-1-iodo-3-methyl-
CAS Number:
1261481-48-4
Molecular Formula:
C8H8BrI
Molecular Weight:
310.9576
IUPAC Name:
2-(bromomethyl)-1-iodo-3-methylbenzene
InChI:
InChI=1S/C8H8BrI/c1-6-3-2-4-8(10)7(6)5-9/h2-4H,5H2,1H3
InChI Key:
FFPITQVOPZVACN-UHFFFAOYSA-N
SMILES:
BrCc1c(C)cccc1I
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:
3.5
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