Home Halogens 1-(3-bromoprop-1-yn-1-yl)-2-chlorobenzene

1-(3-bromoprop-1-yn-1-yl)-2-chlorobenzene

CAS No.:
129425-32-7
Catalog Number:
AG01BUQI
Molecular Formula:
C9H6BrCl
Molecular Weight:
229.5009
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Product Description
Catalog Number:
AG01BUQI
Chemical Name:
1-(3-bromoprop-1-yn-1-yl)-2-chlorobenzene
CAS Number:
129425-32-7
Molecular Formula:
C9H6BrCl
Molecular Weight:
229.5009
MDL Number:
MFCD22482444
IUPAC Name:
1-(3-bromoprop-1-ynyl)-2-chlorobenzene
InChI:
InChI=1S/C9H6BrCl/c10-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6H,7H2
InChI Key:
WRPFAVJCTDVEMF-UHFFFAOYSA-N
SMILES:
BrCC#Cc1ccccc1Cl
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.934g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.501g/mol
Monoisotopic Mass:
227.934g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties