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854616-68-5 | Allyl-(3-bromobenzyl)ether
CAS No: 854616-68-5 Catalog No: AG01FFHE MDL No:
Product Description
Catalog Number:
AG01FFHE
Chemical Name:
Allyl-(3-bromobenzyl)ether
CAS Number:
854616-68-5
Molecular Formula:
C10H11BrO
Molecular Weight:
227.0977
IUPAC Name:
1-bromo-3-(prop-2-enoxymethyl)benzene
InChI:
InChI=1S/C10H11BrO/c1-2-6-12-8-9-4-3-5-10(11)7-9/h2-5,7H,1,6,8H2
InChI Key:
CSXUTCUADFIMQQ-UHFFFAOYSA-N
SMILES:
C=CCOCc1cccc(c1)Br
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.101g/mol
Monoisotopic Mass:
225.999g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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