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17742-54-0

17742-54-0 | Benzene, [(4-bromobutyl)thio]-

CAS No: 17742-54-0 Catalog No: AG0025BI MDL No:MFCD00091597

Product Description

Catalog Number:
AG0025BI
Chemical Name:
Benzene, [(4-bromobutyl)thio]-
CAS Number:
17742-54-0
Molecular Formula:
C10H13BrS
Molecular Weight:
245.1792
MDL Number:
MFCD00091597
IUPAC Name:
4-bromobutylsulfanylbenzene
InChI:
InChI=1S/C10H13BrS/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChI Key:
UBTYAHFMUFSMLS-UHFFFAOYSA-N
SMILES:
BrCCCCSc1ccccc1

Properties

Complexity:
100  
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:
5  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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