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Home > Bromides > 1245563-06-7
1245563-06-7 | Benzene, 1,3-dibromo-2-butoxy-5-methyl-
CAS No: 1245563-06-7 Catalog No: AG000M6R MDL No:MFCD17015813
Product Description
Catalog Number:
AG000M6R
Chemical Name:
Benzene, 1,3-dibromo-2-butoxy-5-methyl-
CAS Number:
1245563-06-7
Molecular Formula:
C11H14Br2O
Molecular Weight:
322.0363
MDL Number:
MFCD17015813
IUPAC Name:
1,3-dibromo-2-butoxy-5-methylbenzene
InChI:
InChI=1S/C11H14Br2O/c1-3-4-5-14-11-9(12)6-8(2)7-10(11)13/h6-7H,3-5H2,1-2H3
InChI Key:
YPLYQGOLPZEQHR-UHFFFAOYSA-N
SMILES:
CCCCOc1c(Br)cc(cc1Br)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.939g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.04g/mol
Monoisotopic Mass:
319.941g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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