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18133-80-7 | Phenol, 3-bromo-4-(2,6-dimethylphenoxy)-2,6-dimethyl-
CAS No: 18133-80-7 Catalog No: AG0022TS MDL No:
Product Description
Catalog Number:
AG0022TS
Chemical Name:
Phenol, 3-bromo-4-(2,6-dimethylphenoxy)-2,6-dimethyl-
CAS Number:
18133-80-7
Molecular Formula:
C16H17BrO2
Molecular Weight:
321.2090
IUPAC Name:
3-bromo-4-(2,6-dimethylphenoxy)-2,6-dimethylphenol
InChI:
InChI=1S/C16H17BrO2/c1-9-6-5-7-10(2)16(9)19-13-8-11(3)15(18)12(4)14(13)17/h5-8,18H,1-4H3
InChI Key:
HOSOQQBFZLSDEJ-UHFFFAOYSA-N
SMILES:
Cc1cc(Oc2c(C)cccc2C)c(c(c1O)C)Br
NSC Number:
128400
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.214g/mol
Monoisotopic Mass:
320.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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