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Home > Fluorides > 885276-27-7
885276-27-7 | 2-ACETAMIDO-2-[5-(PERFLUOROOCT-1-YL)PENT-1-YL]MALONIC ACID
CAS No: 885276-27-7 Catalog No: AG0046BW MDL No:
Product Description
Catalog Number:
AG0046BW
Chemical Name:
2-ACETAMIDO-2-[5-(PERFLUOROOCT-1-YL)PENT-1-YL]MALONIC ACID
CAS Number:
885276-27-7
Molecular Formula:
C18H16F17NO5
Molecular Weight:
649.2962
IUPAC Name:
2-acetamido-2-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)propanedioic acid
InChI:
InChI=1S/C18H16F17NO5/c1-7(37)36-10(8(38)39,9(40)41)5-3-2-4-6-11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h2-6H2,1H3,(H,36,37)(H,38,39)(H,40,41)
InChI Key:
VGSGTZIYXDLEPC-UHFFFAOYSA-N
SMILES:
CC(=O)NC(C(=O)O)(C(=O)O)CCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
979
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
649.076g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
22
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
649.301g/mol
Monoisotopic Mass:
649.076g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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