Home Halogens 2-(2-bromophenyl)but-3-yn-2-ol

2-(2-bromophenyl)but-3-yn-2-ol

CAS No.:
104684-12-0
Catalog Number:
AG01BEUJ
Molecular Formula:
C10H9BrO
Molecular Weight:
225.0819
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Product Description
Catalog Number:
AG01BEUJ
Chemical Name:
2-(2-bromophenyl)but-3-yn-2-ol
CAS Number:
104684-12-0
Molecular Formula:
C10H9BrO
Molecular Weight:
225.0819
MDL Number:
MFCD21143230
IUPAC Name:
2-(2-bromophenyl)but-3-yn-2-ol
InChI:
InChI=1S/C10H9BrO/c1-3-10(2,12)8-6-4-5-7-9(8)11/h1,4-7,12H,2H3
InChI Key:
QFPIIHGBCPTSMN-UHFFFAOYSA-N
SMILES:
C#CC(c1ccccc1Br)(O)C
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.984g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.085g/mol
Monoisotopic Mass:
223.984g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties