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138580-17-3 | Ethanol, 2-[4-(1-bromo-2-methyl-1-propen-1-yl)phenoxy]-
CAS No: 138580-17-3 Catalog No: AG0018T0 MDL No:
Product Description
Catalog Number:
AG0018T0
Chemical Name:
Ethanol, 2-[4-(1-bromo-2-methyl-1-propen-1-yl)phenoxy]-
CAS Number:
138580-17-3
Molecular Formula:
C12H15BrO2
Molecular Weight:
271.1503
IUPAC Name:
2-[4-(1-bromo-2-methylprop-1-enyl)phenoxy]ethanol
InChI:
InChI=1S/C12H15BrO2/c1-9(2)12(13)10-3-5-11(6-4-10)15-8-7-14/h3-6,14H,7-8H2,1-2H3
InChI Key:
PBCLZYGPPMFTSQ-UHFFFAOYSA-N
SMILES:
OCCOc1ccc(cc1)C(=C(C)C)Br
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.154g/mol
Monoisotopic Mass:
270.026g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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