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41388-50-5 | 1-Allyloxy-3-bromobenzene
CAS No: 41388-50-5 Catalog No: AG01EVV9 MDL No:
Product Description
Catalog Number:
AG01EVV9
Chemical Name:
1-Allyloxy-3-bromobenzene
CAS Number:
41388-50-5
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
IUPAC Name:
1-bromo-3-prop-2-enoxybenzene
InChI:
InChI=1S/C9H9BrO/c1-2-6-11-9-5-3-4-8(10)7-9/h2-5,7H,1,6H2
InChI Key:
FIXOLQLLJSDRBF-UHFFFAOYSA-N
SMILES:
C=CCOc1cccc(c1)Br
NSC Number:
86571
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.074g/mol
Monoisotopic Mass:
211.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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