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885267-10-7 | Benzene,1-bromo-3-[(4-fluorobutyl)thio]-
CAS No: 885267-10-7 Catalog No: AG0048F8 MDL No:
Product Description
Catalog Number:
AG0048F8
Chemical Name:
Benzene,1-bromo-3-[(4-fluorobutyl)thio]-
CAS Number:
885267-10-7
Molecular Formula:
C10H12BrFS
Molecular Weight:
263.1697
IUPAC Name:
1-bromo-3-(4-fluorobutylsulfanyl)benzene
InChI:
InChI=1S/C10H12BrFS/c11-9-4-3-5-10(8-9)13-7-2-1-6-12/h3-5,8H,1-2,6-7H2
InChI Key:
JOUZZVMTLDTFTJ-UHFFFAOYSA-N
SMILES:
FCCCCSc1cccc(c1)Br
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.983g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.168g/mol
Monoisotopic Mass:
261.983g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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