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148757-89-5 | Nonane, 1-bromo-9-[(4,4,5,5,5-pentafluoropentyl)thio]-
CAS No: 148757-89-5 Catalog No: AG001L6S MDL No:
Product Description
Catalog Number:
AG001L6S
Chemical Name:
Nonane, 1-bromo-9-[(4,4,5,5,5-pentafluoropentyl)thio]-
CAS Number:
148757-89-5
Molecular Formula:
C14H24BrF5S
Molecular Weight:
399.3014
IUPAC Name:
14-bromo-5-(14-bromo-1,1,1,2,2-pentafluorotetradecan-5-yl)sulfanyl-1,1,1,2,2-pentafluorotetradecane
InChI:
InChI=1S/C28H46Br2F10S/c29-21-13-9-5-1-3-7-11-15-23(17-19-25(31,32)27(35,36)37)41-24(18-20-26(33,34)28(38,39)40)16-12-8-4-2-6-10-14-22-30/h23-24H,1-22H2
InChI Key:
WQHQFCSCTUPZTN-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCCSCCCC(C(F)(F)F)(F)F
EC Number:
422-850-5
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
764.151g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
764.528g/mol
Monoisotopic Mass:
762.153g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
14.7
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