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951894-99-8 | 4-(5-Bromo-2-methoxyphenyl)-2-methyl-1-butene
CAS No: 951894-99-8 Catalog No: AG01F050 MDL No:
Product Description
Catalog Number:
AG01F050
Chemical Name:
4-(5-Bromo-2-methoxyphenyl)-2-methyl-1-butene
CAS Number:
951894-99-8
Molecular Formula:
C12H15BrO
Molecular Weight:
255.1509
IUPAC Name:
4-bromo-1-methoxy-2-(3-methylbut-3-enyl)benzene
InChI:
InChI=1S/C12H15BrO/c1-9(2)4-5-10-8-11(13)6-7-12(10)14-3/h6-8H,1,4-5H2,2-3H3
InChI Key:
PSXBTGGBUPYWKZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CCC(=C)C)Br
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.155g/mol
Monoisotopic Mass:
254.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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