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CAS 56531-62-5 manufacturers and suppliers on PharmaCompass

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CAS 56531-62-5
Also known as: Schembl133608, 3-(4-chloro-phenyl)-adamantane-1-carboxylic acid, 3-(4-chlorophenyl)tricyclo[3.3.1.13,7]decane-1-carboxylic acid
Molecular Formula
C17H19ClO2
Molecular Weight
290.8  g/mol
InChI Key
OECLPECEPAYMGH-UHFFFAOYSA-N

1 2D Structure

CAS 56531-62-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(4-chlorophenyl)adamantane-1-carboxylic acid
2.1.2 InChI
InChI=1S/C17H19ClO2/c18-14-3-1-13(2-4-14)16-6-11-5-12(7-16)9-17(8-11,10-16)15(19)20/h1-4,11-12H,5-10H2,(H,19,20)
2.1.3 InChI Key
OECLPECEPAYMGH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1C2CC3(CC1CC(C2)(C3)C(=O)O)C4=CC=C(C=C4)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Schembl133608

2. 3-(4-chloro-phenyl)-adamantane-1-carboxylic Acid

3. 3-(4-chlorophenyl)tricyclo[3.3.1.13,7]decane-1-carboxylic Acid

2.3 Create Date
2007-03-19
3 Chemical and Physical Properties
Molecular Weight 290.8 g/mol
Molecular Formula C17H19ClO2
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass290.1073575 g/mol
Monoisotopic Mass290.1073575 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity411
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag China
Digital Content Digital Content
URL Supplier Web Content
56531-62-5
Adamantane
Established in 1999, Hankang Pharmaceutical Group stands as a prominent CRO-CDMO integrated service enter...
Established in 1999, Hankang Pharmaceutical Group stands as a prominent CRO-CDMO integrated service enterprise in China. Focused on generic drugs while venturing into innovative ones, the group is dedicated to offering comprehensive solutions to the industry. Presently, Hankang has crafted over 200 varieties for 600+ domestic and international companies, serving 10+ innovative drugs. It has successfully developed more than 10 initial generic drugs, with over 20 varieties endorsed by the top three domestic companies and 30 exceeding a 100 million output value.
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