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74642-19-6 | 1-Bromo-2-n-butylthiobenzene
CAS No: 74642-19-6 Catalog No: AG01EX9S MDL No:
Product Description
Catalog Number:
AG01EX9S
Chemical Name:
1-Bromo-2-n-butylthiobenzene
CAS Number:
74642-19-6
Molecular Formula:
C10H13BrS
Molecular Weight:
245.1792
IUPAC Name:
1-bromo-2-butylsulfanylbenzene
InChI:
InChI=1S/C10H13BrS/c1-2-3-8-12-10-7-5-4-6-9(10)11/h4-7H,2-3,8H2,1H3
InChI Key:
FXQIDWFZSPDONW-UHFFFAOYSA-N
SMILES:
CCCCSc1ccccc1Br
Properties
Complexity:
116
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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