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Home > Bromides > 1280786-57-3
1280786-57-3 | Benzene, 1-bromo-4-[(butylsulfinyl)methyl]-
CAS No: 1280786-57-3 Catalog No: AG000XQR MDL No:MFCD18434449
Product Description
Catalog Number:
AG000XQR
Chemical Name:
Benzene, 1-bromo-4-[(butylsulfinyl)methyl]-
CAS Number:
1280786-57-3
Molecular Formula:
C11H15BrOS
Molecular Weight:
275.2052
MDL Number:
MFCD18434449
IUPAC Name:
1-bromo-4-(butylsulfinylmethyl)benzene
InChI:
InChI=1S/C11H15BrOS/c1-2-3-8-14(13)9-10-4-6-11(12)7-5-10/h4-7H,2-3,8-9H2,1H3
InChI Key:
JWNSEDQFGZSOBQ-UHFFFAOYSA-N
SMILES:
CCCCS(=O)Cc1ccc(cc1)Br
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.003g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.204g/mol
Monoisotopic Mass:
274.003g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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