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99070-14-1 | 1-Bromo-3-allyloxy-4-methylbenzene
CAS No: 99070-14-1 Catalog No: AG01F08Y MDL No:
Product Description
Catalog Number:
AG01F08Y
Chemical Name:
1-Bromo-3-allyloxy-4-methylbenzene
CAS Number:
99070-14-1
Molecular Formula:
C10H11BrO
Molecular Weight:
227.0977
IUPAC Name:
4-bromo-1-methyl-2-prop-2-enoxybenzene
InChI:
InChI=1S/C10H11BrO/c1-3-6-12-10-7-9(11)5-4-8(10)2/h3-5,7H,1,6H2,2H3
InChI Key:
HTYLDUVGALLNSF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1OCC=C)Br
Properties
Complexity:
147
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:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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