CAS 1297537-37-1

Chemistry, 1 End Use API, 1 Related Intermediates

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Also known as: 1297537-37-1, 2-chloro-4-(1h-pyrazol-3-yl)benzonitrile, 2-chloro-4-(3-pyrazolyl)benzonitrile, Mfcd28365702, Schembl1810795, Dtxsid201275822

Molecular Formula

C₁₀H₆ClN₃

Molecular Weight

203.63 g/mol

InChI Key

BCINLNFBTLIGBU-UHFFFAOYSA-N

1 2D Structure

CAS 1297537-37-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-4-(1H-pyrazol-5-yl)benzonitrile

2.1.2 InChI

InChI=1S/C10H6ClN3/c11-9-5-7(1-2-8(9)6-12)10-3-4-13-14-10/h1-5H,(H,13,14)

2.1.3 InChI Key

BCINLNFBTLIGBU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1C2=CC=NN2)Cl)C#N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1297537-37-1

2. 2-chloro-4-(1h-pyrazol-3-yl)benzonitrile

3. 2-chloro-4-(3-pyrazolyl)benzonitrile

4. Mfcd28365702

5. Schembl1810795

6. Dtxsid201275822

7. Xbc53737

8. Akos037645898

9. Sb18313

10. As-64711

11. Sy124343

12. Db-122077

13. 2-chloro-4-(1h-pyrazol-3-yl)-benzonitrile

14. 2-chloro-4-(1h-pyrazol-5-yl)-benzonitrile

15. Cs-0035705

16. Ec 941-761-7

17. W15033

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₆ClN₃
Molecular Weight	203.63 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	203.0250249 g/mol
Monoisotopic Mass	203.0250249 g/mol
Topological Polar Surface Area	52.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	247
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

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Shandong Loncom Pharmaceutical

Shandong Loncom is an R&D-focused manufacturer of Anti-cancer APIs.

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1H-Pyrazole-3-Carboxylic Acid, 5-(Acetylamino)

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CAS Number

949034-45-1

End Use API

Darolutamide

About the Company

Established in May 2012, Shandong Loncom Pharmaceutical operates as a fully owned subsidiary of Shandong ...

Established in May 2012, Shandong Loncom Pharmaceutical operates as a fully owned subsidiary of Shandong Bestcomm Pharmaceutical Co., Ltd. Situated in the Qihe Economic Development Zone, Shandong Province, Shandong Loncom has operational API pilot tests and production bases adhering to international standards. With 13 production lines dedicated to oral solid preparations, oral liquid preparations and API, it is actively expanding its preparation workshops for small-volume injections, soft capsules, eye drops, topical medicines and innovative drug R&D centres.