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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Also known as: Mephenate, 2620-53-3, (4-chlorophenyl) n-methylcarbamate, W66v2205iu, Carbamic acid,n-methyl-, 4-chlorophenyl ester, P-chlorophenyl methylcarbamate

Molecular Formula

C₈H₈ClNO₂

Molecular Weight

185.61 g/mol

InChI Key

WMMQJAQJAPXWDO-UHFFFAOYSA-N

FDA UNII

W66V2205IU

1 2D Structure

Mephenate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-chlorophenyl) N-methylcarbamate

2.1.2 InChI

InChI=1S/C8H8ClNO2/c1-10-8(11)12-7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,11)

2.1.3 InChI Key

WMMQJAQJAPXWDO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNC(=O)OC1=CC=C(C=C1)Cl

2.2 Other Identifiers

2.2.1 UNII

W66V2205IU

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-chlorophenyl-n-methylcarbamate

2. P-chlorophenyl-n-methylcarbamate

2.3.2 Depositor-Supplied Synonyms

1. Mephenate

2. 2620-53-3

3. (4-chlorophenyl) N-methylcarbamate

4. W66v2205iu

5. Carbamic Acid,n-methyl-, 4-chlorophenyl Ester

6. P-chlorophenyl Methylcarbamate

7. 4-chlorophenyl-n-methylcarbamate

8. Ppg 124

9. Drc 3343

10. Brn 2047297

11. Unii-w66v2205iu

12. Carbamic Acid, Methyl-, P-chlorophenyl Ester

13. 4-chlorophenyl N-methylcarbamate

14. Carbamic Acid, Methyl-, 4-chlorophenyl Ester

15. 4-06-00-00843 (beilstein Handbook Reference)

16. Schembl188010

17. P-chlorophenyl N-methylcarbamate

18. P-chlorophenyl-n-methylcarbamate

19. Dtxsid0041511

20. (4-chlorophenyl)n-methylcarbamate

21. Zinc2035998

22. Ae-641/05046030

23. Q3333247

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₈H₈ClNO₂
Molecular Weight	185.61 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	185.0243562 g/mol
Monoisotopic Mass	185.0243562 g/mol
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	155
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