BLX3887

CAT: 0127-BUP23652-02Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP23652-02Size:1 mg

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

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CAS Number

934758-70-0

Purity

≥95%

Smiles

Fc1ccc (NC (=O) c2n[nH]c (Cl) c2Cl) c (Cl) c1

Chemical Information

4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide

CAS Number	934758-70-0
PubChem CID	16659762
IUPAC Name	4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
Molecular Formula	C10H5Cl3FN3O
Molecular Weight	308.5
XLogP	3.7
Topological Polar Surface Area	57.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	323

SMILES

C1=CC(=C(C=C1F)Cl)NC(=O)C2=NNC(=C2Cl)Cl

InChI

InChI=1S/C10H5Cl3FN3O/c11-5-3-4(14)1-2-6(5)15-10(18)8-7(12)9(13)17-16-8/h1-3H,(H,15,18)(H,16,17)

InChIKey

BEVTYLZKKCIGFB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 934758-70-0

CID: 16659762

Formula: C10H5Cl3FN3O

MW: 308.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	308.5
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	306.948223
Monoisotopic Mass	306.948223
Topological Polar Surface Area	57.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	323
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
T37273-01	BLX3887