Catalog No.:AA00D4AY

313674-09-8 | Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate

Name: Name:Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate
Brand: AABLOCKS
SKU: AA00D4AY
Rating: 90 (10 reviews)

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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA00D4AY

Chemical Name:

Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate

CAS Number:

313674-09-8

Molecular Formula:

C11H9ClN2O2

Molecular Weight:

236.6544

MDL Number:

MFCD04124715

SMILES:

COC(=O)c1ccc(cc1Cl)n1cccn1

Properties

Computed Properties

Complexity:

262

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

XLogP3:

2.4

Downstream Synthesis Route

288-13-1

85953-29-3

313674-09-8

[1]JournalofMedicinalChemistry,2000,vol.43,p.4388-4397

[2]BioorganicandMedicinalChemistry,2008,vol.16,p.9524-9535

313674-09-8

313674-12-3

[1]Kondo;Ogawa;Shinohara;Kurimura;Tanada;Kan;Yamashita;Nakamura;Hirano;Yamamura;Mori;Tominaga;Itai[JournalofMedicinalChemistry,2000,vol.43,#23,p.4388-4397]

[2]Locationinpatent:experimentalpartTsukamoto,Issei;Koshio,Hiroyuki;Akamatsu,Seijiro;Kuramochi,Takahiro;Saitoh,Chikashi;Yatsu,Takeyuki;Yanai-Inamura,Hiroko;Kitada,Chika;Yamamoto,Eisaku;Sakamoto,Shuichi;Tsukamoto,Shin-ichi[BioorganicandMedicinalChemistry,2008,vol.16,#21,p.9524-9535]

Literature

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