CAS 906820-08-4 manufacturers and suppliers on PharmaCompass

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Also known as: 906820-08-4, 4-fluoroisoquinoline-5-sulfonyl chloride hcl, Schembl999448, 4-fluoro-isoquinoline-5-sulfonyl chloride hydrochloride, Bcp31362, Mfcd30342446
Molecular Formula
C9H6Cl2FNO2S
Molecular Weight
282.12  g/mol
InChI Key
CZBQKKWMAVBCJX-UHFFFAOYSA-N

CAS 906820-08-4
1 2D Structure

CAS 906820-08-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-fluoroisoquinoline-5-sulfonyl chloride;hydrochloride
2.1.2 InChI
InChI=1S/C9H5ClFNO2S.ClH/c10-15(13,14)8-3-1-2-6-4-12-5-7(11)9(6)8;/h1-5H;1H
2.1.3 InChI Key
CZBQKKWMAVBCJX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=CN=CC(=C2C(=C1)S(=O)(=O)Cl)F.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 906820-08-4

2. 4-fluoroisoquinoline-5-sulfonyl Chloride Hcl

3. Schembl999448

4. 4-fluoro-isoquinoline-5-sulfonyl Chloride Hydrochloride

5. Bcp31362

6. Mfcd30342446

7. Sb13189

8. Db-106821

9. 4-fluoroisoquinoline-5-sulfonylchloridehydrochloride

2.3 Create Date
2015-02-02
3 Chemical and Physical Properties
Molecular Weight 282.12 g/mol
Molecular Formula C9H6Cl2FNO2S
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area55.4
Heavy Atom Count16
Formal Charge0
Complexity330
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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