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116250-57-8 | Phenol, 3,5-dibromo-4-(methoxymethyl)-2,6-dimethyl-
CAS No: 116250-57-8 Catalog No: AG000C29 MDL No:
Product Description
Catalog Number:
AG000C29
Chemical Name:
Phenol, 3,5-dibromo-4-(methoxymethyl)-2,6-dimethyl-
CAS Number:
116250-57-8
Molecular Formula:
C10H12Br2O2
Molecular Weight:
324.0091
IUPAC Name:
3,5-dibromo-4-(methoxymethyl)-2,6-dimethylphenol
InChI:
InChI=1S/C10H12Br2O2/c1-5-8(11)7(4-14-3)9(12)6(2)10(5)13/h13H,4H2,1-3H3
InChI Key:
QJHKCAYODUADMH-UHFFFAOYSA-N
SMILES:
COCc1c(Br)c(C)c(c(c1Br)C)O
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.918g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.012g/mol
Monoisotopic Mass:
321.92g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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