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162188-44-5 | 2-Butenoic acid, 2-(cyclohexylamino)-4-oxo-4-(2,3,4,5,6-pentafluorophenyl)-
CAS No: 162188-44-5 Catalog No: AG001SV1 MDL No:
Product Description
Catalog Number:
AG001SV1
Chemical Name:
2-Butenoic acid, 2-(cyclohexylamino)-4-oxo-4-(2,3,4,5,6-pentafluorophenyl)-
CAS Number:
162188-44-5
Molecular Formula:
C16H14F5NO3
Molecular Weight:
363.2793
IUPAC Name:
2-(cyclohexylamino)-4-oxo-4-(2,3,4,5,6-pentafluorophenyl)but-2-enoic acid
InChI:
InChI=1S/C16H14F5NO3/c17-11-10(12(18)14(20)15(21)13(11)19)9(23)6-8(16(24)25)22-7-4-2-1-3-5-7/h6-7,22H,1-5H2,(H,24,25)
InChI Key:
GIJGAJBOKJXTNS-UHFFFAOYSA-N
SMILES:
OC(=O)C(=CC(=O)c1c(F)c(F)c(c(c1F)F)F)NC1CCCCC1
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.089g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
363.284g/mol
Monoisotopic Mass:
363.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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