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860585-46-2 | 2,5-Dibromo-4-methylanisole
CAS No: 860585-46-2 Catalog No: AG01EXV9 MDL No:MFCD12547800
Product Description
Catalog Number:
AG01EXV9
Chemical Name:
2,5-Dibromo-4-methylanisole
CAS Number:
860585-46-2
Molecular Formula:
C8H8Br2O
Molecular Weight:
279.9565
MDL Number:
MFCD12547800
IUPAC Name:
1,4-dibromo-2-methoxy-5-methylbenzene
InChI:
InChI=1S/C8H8Br2O/c1-5-3-7(10)8(11-2)4-6(5)9/h3-4H,1-2H3
InChI Key:
HHVFUXWLPJZAIU-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c(cc1Br)C
Properties
Complexity:
129
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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