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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

CAS 1297537-37-1
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 Weight 203.63 g/mol
Molecular Formula C10H6ClN3
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass203.0250249 g/mol
Monoisotopic Mass203.0250249 g/mol
Topological Polar Surface Area52.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity247
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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Duphat
Not Confirmed
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Virtual BoothAarti Pharmalabs is a partner of choice for APIs & Intermediates and the largest Indian manufacturer of Xanthine Derivatives.

2-Chloro-4-(1H-pyrazol-5-yl) benzo nitrile

CAS Number : 1297537-37-1

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About the Company : Aarti Pharmalab, earlier the pharma division of Aarti Industries, is a leading Indian manufacturer of APIs. It has dedicated facilities to manufacture HPAPIs, corticosteroids, cytotoxic...

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