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

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

CAS No.:
1026840-30-1
Catalog Number:
AG01B7GW
Molecular Formula:
C9H6BrCl
Molecular Weight:
229.5009
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Product Description
Catalog Number:
AG01B7GW
Chemical Name:
1-(3-bromoprop-1-yn-1-yl)-3-chlorobenzene
CAS Number:
1026840-30-1
Molecular Formula:
C9H6BrCl
Molecular Weight:
229.5009
MDL Number:
MFCD22482457
IUPAC Name:
1-(3-bromoprop-1-ynyl)-3-chlorobenzene
InChI:
InChI=1S/C9H6BrCl/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,7H,6H2
InChI Key:
FFGCCPPFXSTWKZ-UHFFFAOYSA-N
SMILES:
BrCC#Cc1cccc(c1)Cl
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:
3.9  
Properties