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14542-71-3 | Benzene, 1,3-dibromo-5-methoxy-2-methyl-
CAS No: 14542-71-3 Catalog No: AG001D0Y MDL No:MFCD00013526
Product Description
Catalog Number:
AG001D0Y
Chemical Name:
Benzene, 1,3-dibromo-5-methoxy-2-methyl-
CAS Number:
14542-71-3
Molecular Formula:
C8H8Br2O
Molecular Weight:
279.9565
MDL Number:
MFCD00013526
IUPAC Name:
1,3-dibromo-5-methoxy-2-methylbenzene
InChI:
InChI=1S/C8H8Br2O/c1-5-7(9)3-6(11-2)4-8(5)10/h3-4H,1-2H3
InChI Key:
BZRKRRXRNGVEIZ-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c(c(c1)Br)C
EC Number:
238-576-2
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.892g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.959g/mol
Monoisotopic Mass:
277.894g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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