Home Halogens 1-bromo-4-(prop-1-yn-1-ylsulfanyl)benzene

1-bromo-4-(prop-1-yn-1-ylsulfanyl)benzene

CAS No.:
85143-29-9
Catalog Number:
AG01B1NE
Molecular Formula:
C9H7BrS
Molecular Weight:
227.1209
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Product Description
Catalog Number:
AG01B1NE
Chemical Name:
1-bromo-4-(prop-1-yn-1-ylsulfanyl)benzene
CAS Number:
85143-29-9
Molecular Formula:
C9H7BrS
Molecular Weight:
227.1209
MDL Number:
MFCD28023731
IUPAC Name:
1-bromo-4-prop-1-ynylsulfanylbenzene
InChI:
InChI=1S/C9H7BrS/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6H,1H3
InChI Key:
UQXIEXDJQFVQKZ-UHFFFAOYSA-N
SMILES:
CC#CSc1ccc(cc1)Br
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.945g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.119g/mol
Monoisotopic Mass:
225.945g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties