Name: Name:Carbamic acid, N-[3-(4-cyanophenyl)-3-oxetanyl]-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG000GVP
Rating: 90 (10 reviews)

Carbamic acid, N-[3-(4-cyanophenyl)-3-oxetanyl]-, 1,1-dimethylethyl ester

CAS No.:

1158098-77-1

Catalog Number:

AG000GVP

Molecular Formula:

C15H18N2O3

Molecular Weight:

274.3150

Catalog Number:

AG000GVP

Chemical Name:

Carbamic acid, N-[3-(4-cyanophenyl)-3-oxetanyl]-, 1,1-dimethylethyl ester

CAS Number:

1158098-77-1

Molecular Formula:

C15H18N2O3

Molecular Weight:

274.3150

IUPAC Name:

tert-butyl N-[3-(4-cyanophenyl)oxetan-3-yl]carbamate

InChI:

InChI=1S/C15H18N2O3/c1-14(2,3)20-13(18)17-15(9-19-10-15)12-6-4-11(8-16)5-7-12/h4-7H,9-10H2,1-3H3,(H,17,18)

InChI Key:

ZGGQPIIEGFSXAB-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)C1(COC1)NC(=O)OC(C)(C)C

Complexity:

407

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

274.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

274.32g/mol

Monoisotopic Mass:

274.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6