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Home > Bromides > 1215077-69-2
1215077-69-2 | Benzene, 1-bromo-3-(butylsulfinyl)-
CAS No: 1215077-69-2 Catalog No: AG001540 MDL No:MFCD20441854
Product Description
Catalog Number:
AG001540
Chemical Name:
Benzene, 1-bromo-3-(butylsulfinyl)-
CAS Number:
1215077-69-2
Molecular Formula:
C10H13BrOS
Molecular Weight:
261.1786
MDL Number:
MFCD20441854
IUPAC Name:
1-bromo-3-butylsulfinylbenzene
InChI:
InChI=1S/C10H13BrOS/c1-2-3-7-13(12)10-6-4-5-9(11)8-10/h4-6,8H,2-3,7H2,1H3
InChI Key:
SCAHJFSTKOMTSN-UHFFFAOYSA-N
SMILES:
CCCCS(=O)c1cccc(c1)Br
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.987g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.177g/mol
Monoisotopic Mass:
259.987g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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