CAS 871555-75-8 manufacturers and suppliers on PharmaCompass

CAS 871555-75-8

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Virtual Booth

Contact Supplier

Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 22 Related Intermediates

1 Suppliers
1 End Use APIs
22 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: Phenyl n-[4-chloro-3-(trifluoromethyl)phenyl]carbamate, 871555-75-8, Phenyl (4-chloro-3-(trifluoromethyl)phenyl)carbamate, Schembl3644038, Akos008914635, Phenyl 4-chloro-3-(trifluoromethyl)phenylcarbamate

Molecular Formula

C₁₄H₉ClF₃NO₂

Molecular Weight

315.67 g/mol

InChI Key

RDNQDSKTTPSVKZ-UHFFFAOYSA-N

1 2D Structure

CAS 871555-75-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

phenyl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate

2.1.2 InChI

InChI=1S/C14H9ClF3NO2/c15-12-7-6-9(8-11(12)14(16,17)18)19-13(20)21-10-4-2-1-3-5-10/h1-8H,(H,19,20)

2.1.3 InChI Key

RDNQDSKTTPSVKZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)OC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Phenyl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate

2. 871555-75-8

3. Phenyl (4-chloro-3-(trifluoromethyl)phenyl)carbamate

4. Schembl3644038

5. Akos008914635

6. Phenyl 4-chloro-3-(trifluoromethyl)phenylcarbamate

7. A1-34302

8. Phenyl(4-chloro-3-(trifluoromethyl)phenyl)carbamate

9. 4-chloro-3-(trifluoromethyl)phenylcarbamic Acid Phenyl Ester

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₉ClF₃NO₂
Molecular Weight	315.67 g/mol
XLogP3	5.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	315.0273907 g/mol
Monoisotopic Mass	315.0273907 g/mol
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	359
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