DFHBI-1T 5mg

CAT: 0628-A24509-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A24509-5Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1539318-36-9

Chemical Information

Dfhbi-1T

CAS Number	1539318-36-9
PubChem CID	101889712
IUPAC Name	(5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-methyl-3-(2,2,2-trifluoroethyl)imidazol-4-one
Molecular Formula	C13H9F5N2O2
Molecular Weight	320.21
XLogP	2.5
Topological Polar Surface Area	52.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	505

SMILES

CC1=N/C(=C\C2=CC(=C(C(=C2)F)O)F)/C(=O)N1CC(F)(F)F

InChI

InChI=1S/C13H9F5N2O2/c1-6-19-10(12(22)20(6)5-13(16,17)18)4-7-2-8(14)11(21)9(15)3-7/h2-4,21H,5H2,1H3/b10-4-

InChIKey

AWYCLBWNRONMQC-WMZJFQQLSA-N

Chemical Structure

2D Structure

CAS: 1539318-36-9

CID: 101889712

Formula: C13H9F5N2O2

MW: 320.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	320.21
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	320.05841834
Monoisotopic Mass	320.05841834
Topological Polar Surface Area	52.9 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	505
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes