Home Halogens [(3-bromobutyl)sulfanyl]benzene

[(3-bromobutyl)sulfanyl]benzene

CAS No.:
1394041-75-8
Catalog Number:
AG019TF8
Molecular Formula:
C10H13BrS
Molecular Weight:
245.1792
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Product Description
Catalog Number:
AG019TF8
Chemical Name:
[(3-bromobutyl)sulfanyl]benzene
CAS Number:
1394041-75-8
Molecular Formula:
C10H13BrS
Molecular Weight:
245.1792
MDL Number:
MFCD22375441
IUPAC Name:
3-bromobutylsulfanylbenzene
InChI:
InChI=1S/C10H13BrS/c1-9(11)7-8-12-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChI Key:
OSLOPHWGPPAUMM-UHFFFAOYSA-N
SMILES:
CC(CCSc1ccccc1)Br
Properties
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.992g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.178g/mol
Monoisotopic Mass:
243.992g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties