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192082-41-0 | 2-Propenal, 3-[[bis(1,1,2,2-tetrafluoro-2-hydroxyethyl)amino]phenyl]- (9CI)
CAS No: 192082-41-0 Catalog No: AG002FN2 MDL No:
Product Description
Catalog Number:
AG002FN2
Chemical Name:
2-Propenal, 3-[[bis(1,1,2,2-tetrafluoro-2-hydroxyethyl)amino]phenyl]- (9CI)
CAS Number:
192082-41-0
Molecular Formula:
C13H9F8NO3
Molecular Weight:
379.2027
IUPAC Name:
3-[2-[bis(1,1,2,2-tetrafluoro-2-hydroxyethyl)amino]phenyl]prop-2-enal
InChI:
InChI=1S/C13H9F8NO3/c14-10(15,12(18,19)24)22(11(16,17)13(20,21)25)9-6-2-1-4-8(9)5-3-7-23/h1-7,24-25H
InChI Key:
HKWVCERHVGHSPO-UHFFFAOYSA-N
SMILES:
O=CC=Cc1ccccc1N(C(C(F)(F)O)(F)F)C(C(F)(F)O)(F)F
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.045g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
379.206g/mol
Monoisotopic Mass:
379.045g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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