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951894-90-9 | 4-(5-Bromo-2-methoxyphenyl)-1-butene
CAS No: 951894-90-9 Catalog No: AG01F04X MDL No:
Product Description
Catalog Number:
AG01F04X
Chemical Name:
4-(5-Bromo-2-methoxyphenyl)-1-butene
CAS Number:
951894-90-9
Molecular Formula:
C11H13BrO
Molecular Weight:
241.1243
IUPAC Name:
4-bromo-2-but-3-enyl-1-methoxybenzene
InChI:
InChI=1S/C11H13BrO/c1-3-4-5-9-8-10(12)6-7-11(9)13-2/h3,6-8H,1,4-5H2,2H3
InChI Key:
XYTXBEDEXWYZKF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CCC=C)Br
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.128g/mol
Monoisotopic Mass:
240.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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