Yizuomanjing

CAT: 0572-TRC-Y223450-500MGSize: 500 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-Y223450-500MGSize:500 mg

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

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CAS Number

1253429-01-4

Synonyms

Cyetpyrafen; (1Z)-2-Cyano-2-[4-(1,1-dimethylethyl)phenyl]-1-(1-ethyl-3-methyl-1H-pyrazol-5-yl)ethenyl 2,2-dimethylpropanoate; SYP 9625; Yizuomanjing

Hazard Statement

May cause an allergic skin reaction; UN number: UN3077; Packing Group: III

Smiles

CCn1nc(C)cc1\C(=C(\C#N)/c2ccc(cc2)C(C)(C)C)\OC(=O)C(C)(C)C

Molecular Formula

C24 H31 N3 O2

Molecular Weight

393.5218

InChI

InChI=1S/C24H31N3O2/c1-9-27-20(14-16(2)26-27)21(29-22(28)24(6,7)8)19(15-25)17-10-12-18(13-11-17)23(3,4)5/h10-14H,9H2,1-8H3/b21-19+

Additionnal Information

IUPAC name: [(Z)-2-(4-tert-butylphenyl)-2-cyano-1-(2-ethyl-5-methylpyrazol-3-yl)ethenyl] 2,2-dimethylpropanoate

Shipping Conditions

Room Temperature

Chemical Information

Cyetpyrafen

CAS Number	1253429-01-4
PubChem CID	90185933
IUPAC Name	[(Z)-2-(4-tert-butylphenyl)-2-cyano-1-(2-ethyl-5-methylpyrazol-3-yl)ethenyl] 2,2-dimethylpropanoate
Molecular Formula	C24H31N3O2
Molecular Weight	393.5
XLogP	5.4
Topological Polar Surface Area	67.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	29
Formal Charge	0
Complexity	666

SMILES

CCN1C(=CC(=N1)C)/C(=C(/C#N)\C2=CC=C(C=C2)C(C)(C)C)/OC(=O)C(C)(C)C

InChI

InChI=1S/C24H31N3O2/c1-9-27-20(14-16(2)26-27)21(29-22(28)24(6,7)8)19(15-25)17-10-12-18(13-11-17)23(3,4)5/h10-14H,9H2,1-8H3/b21-19+

InChIKey

NWXGXRHWQUMXHA-XUTLUUPISA-N

Chemical Structure

2D Structure

CAS: 1253429-01-4

CID: 90185933

Formula: C24H31N3O2

MW: 393.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	393.5
XLogP3	5.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	393.24162724
Monoisotopic Mass	393.24162724
Topological Polar Surface Area	67.9 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	666
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