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39969-56-7 | 1-Bromo-4-propoxybenzene
CAS No: 39969-56-7 Catalog No: AG003E56 MDL No:MFCD00156160
Product Description
Catalog Number:
AG003E56
Chemical Name:
1-Bromo-4-propoxybenzene
CAS Number:
39969-56-7
Molecular Formula:
C9H11BrO
Molecular Weight:
215.0870
MDL Number:
MFCD00156160
IUPAC Name:
1-bromo-4-propoxybenzene
InChI:
InChI=1S/C9H11BrO/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3
InChI Key:
VVPARGBRVKRZJC-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)Br
Properties
Complexity:
97.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.999g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.09g/mol
Monoisotopic Mass:
213.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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