Biscarfentrazone

CAT: 0926-XPC90818-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-XPC90818-02Size:50 mg

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

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CAS Number

1622908-18-2

Smiles

CC1=NN (C=C1C (=O) OC2=C (C (=NN2C) C) C (=O) C3=C (C=C (C=C3) C (F) (F) F) S (=O) (=O) C) C

Molecular Formula

C20H19F3N4O5S

Molecular Weight

484.5 g/mol

Controlled

Chemical Information

Bipyrazone

CAS Number	1622908-18-2
PubChem CID	139322738
IUPAC Name	[1,3-dimethyl-4-[2-methylsulfonyl-4-(trifluoromethyl)benzoyl]pyrazol-5-yl] 1,3-dimethylpyrazole-4-carboxylate
Molecular Formula	C20H19F3N4O5S
Molecular Weight	484.5
XLogP	2.6
Topological Polar Surface Area	122
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Heavy Atom Count	33
Formal Charge	0
Complexity	865

SMILES

CC1=NN(C=C1C(=O)OC2=C(C(=NN2C)C)C(=O)C3=C(C=C(C=C3)C(F)(F)F)S(=O)(=O)C)C

InChI

InChI=1S/C20H19F3N4O5S/c1-10-14(9-26(3)24-10)19(29)32-18-16(11(2)25-27(18)4)17(28)13-7-6-12(20(21,22)23)8-15(13)33(5,30)31/h6-9H,1-5H3

InChIKey

LALGZGDVRILFNW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1622908-18-2

CID: 139322738

Formula: C20H19F3N4O5S

MW: 484.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	484.5
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	484.10282538
Monoisotopic Mass	484.10282538
Topological Polar Surface Area	122 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	865
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-B162290-50MG	Biscarfentrazone