Name: Name:Carbamic acid, N-[(1R)-1-(2-bromo-4-chlorophenyl)ethyl]-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG0021I7
Rating: 90 (10 reviews)

Carbamic acid, N-[(1R)-1-(2-bromo-4-chlorophenyl)ethyl]-, 1,1-dimethylethyl ester

CAS No.:

1799438-97-3

Catalog Number:

AG0021I7

Molecular Formula:

C13H17BrClNO2

Molecular Weight:

334.6366

Catalog Number:

AG0021I7

Chemical Name:

Carbamic acid, N-[(1R)-1-(2-bromo-4-chlorophenyl)ethyl]-, 1,1-dimethylethyl ester

CAS Number:

1799438-97-3

Molecular Formula:

C13H17BrClNO2

Molecular Weight:

334.6366

MDL Number:

MFCD28805510

IUPAC Name:

tert-butyl N-[(1R)-1-(2-bromo-4-chlorophenyl)ethyl]carbamate

InChI:

InChI=1S/C13H17BrClNO2/c1-8(16-12(17)18-13(2,3)4)10-6-5-9(15)7-11(10)14/h5-8H,1-4H3,(H,16,17)/t8-/m1/s1

InChI Key:

KQNRMISRZVQOTB-MRVPVSSYSA-N

SMILES:

O=C(OC(C)(C)C)N[C@@H](c1ccc(cc1Br)Cl)C

Complexity:

293

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

333.013g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

334.638g/mol

Monoisotopic Mass:

333.013g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1