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76542-20-6 | (4-Bromophenyl)(isopentyl)sulfane
CAS No: 76542-20-6 Catalog No: AG003E4X MDL No:MFCD12546514
Product Description
Catalog Number:
AG003E4X
Chemical Name:
(4-Bromophenyl)(isopentyl)sulfane
CAS Number:
76542-20-6
Molecular Formula:
C11H15BrS
Molecular Weight:
259.2058
MDL Number:
MFCD12546514
IUPAC Name:
1-bromo-4-(3-methylbutylsulfanyl)benzene
InChI:
InChI=1S/C11H15BrS/c1-9(2)7-8-13-11-5-3-10(12)4-6-11/h3-6,9H,7-8H2,1-2H3
InChI Key:
XVMXDMPDHXQXJB-UHFFFAOYSA-N
SMILES:
CC(CCSc1ccc(cc1)Br)C
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.205g/mol
Monoisotopic Mass:
258.008g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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