Home Halogens 1-bromo-3-(prop-2-yn-1-yloxy)benzene

1-bromo-3-(prop-2-yn-1-yloxy)benzene

CAS No.:
114855-35-5
Catalog Number:
AG01ABF7
Molecular Formula:
C9H7BrO
Molecular Weight:
211.0553
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Product Description
Catalog Number:
AG01ABF7
Chemical Name:
1-bromo-3-(prop-2-yn-1-yloxy)benzene
CAS Number:
114855-35-5
Molecular Formula:
C9H7BrO
Molecular Weight:
211.0553
MDL Number:
MFCD09928819
IUPAC Name:
1-bromo-3-prop-2-ynoxybenzene
InChI:
InChI=1S/C9H7BrO/c1-2-6-11-9-5-3-4-8(10)7-9/h1,3-5,7H,6H2
InChI Key:
NWOMEMWJZOKRQR-UHFFFAOYSA-N
SMILES:
C#CCOc1cccc(c1)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:
209.968g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.058g/mol
Monoisotopic Mass:
209.968g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties