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143674-86-6 | 1-Penten-3-one, 2-bromo-1-(bromoamino)-4,4,5,5-tetrafluoro-1-phenyl-
CAS No: 143674-86-6 Catalog No: AG001I5V MDL No:
Product Description
Catalog Number:
AG001I5V
Chemical Name:
1-Penten-3-one, 2-bromo-1-(bromoamino)-4,4,5,5-tetrafluoro-1-phenyl-
CAS Number:
143674-86-6
Molecular Formula:
C11H7Br2F4NO
Molecular Weight:
404.9810
IUPAC Name:
2-bromo-1-(bromoamino)-4,4,5,5-tetrafluoro-1-phenylpent-1-en-3-one
InChI:
InChI=1S/C11H7Br2F4NO/c12-7(9(19)11(16,17)10(14)15)8(18-13)6-4-2-1-3-5-6/h1-5,10,18H
InChI Key:
XIVBXKBRJKKXCA-UHFFFAOYSA-N
SMILES:
BrNC(=C(C(=O)C(C(F)F)(F)F)Br)c1ccccc1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.881g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.985g/mol
Monoisotopic Mass:
402.883g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
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