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207275-14-7 | 2-Butyn-1-one, 1-(2-bromophenyl)-
CAS No: 207275-14-7 Catalog No: AG002IXV MDL No:
Product Description
Catalog Number:
AG002IXV
Chemical Name:
2-Butyn-1-one, 1-(2-bromophenyl)-
CAS Number:
207275-14-7
Molecular Formula:
C10H7BrO
Molecular Weight:
223.0660
IUPAC Name:
1-(2-bromophenyl)but-2-yn-1-one
InChI:
InChI=1S/C10H7BrO/c1-2-5-10(12)8-6-3-4-7-9(8)11/h3-4,6-7H,1H3
InChI Key:
UBLGDBIPGDHECD-UHFFFAOYSA-N
SMILES:
CC#CC(=O)c1ccccc1Br
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.968g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.069g/mol
Monoisotopic Mass:
221.968g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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