Name: Name:2,2,2-trifluoroethyl N-(3-ethynylphenyl)carbamate
Brand: Angene
SKU: AG019QSV
Rating: 90 (10 reviews)

2,2,2-trifluoroethyl N-(3-ethynylphenyl)carbamate

CAS No.:

1087798-02-4

Catalog Number:

AG019QSV

Molecular Formula:

C11H8F3NO2

Molecular Weight:

243.1819

Catalog Number:

AG019QSV

Chemical Name:

2,2,2-trifluoroethyl N-(3-ethynylphenyl)carbamate

CAS Number:

1087798-02-4

Molecular Formula:

C11H8F3NO2

Molecular Weight:

243.1819

MDL Number:

MFCD11099803

IUPAC Name:

2,2,2-trifluoroethyl N-(3-ethynylphenyl)carbamate

InChI:

InChI=1S/C11H8F3NO2/c1-2-8-4-3-5-9(6-8)15-10(16)17-7-11(12,13)14/h1,3-6H,7H2,(H,15,16)

InChI Key:

JMWNSFNIRMWYBJ-UHFFFAOYSA-N

SMILES:

C#Cc1cccc(c1)NC(=O)OCC(F)(F)F

Complexity:

318

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.185g/mol

Monoisotopic Mass:

243.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9