Name: Name:tert-butyl ((1R,3R)-1-(2-chlorophenyl)-3-hydroxy-2-oxocyclohexyl)carbamate
Brand: Angene
SKU: AG01DFJD
Rating: 90 (10 reviews)

tert-butyl ((1R,3R)-1-(2-chlorophenyl)-3-hydroxy-2-oxocyclohexyl)carbamate

CAS No.:

1430202-80-4

Catalog Number:

AG01DFJD

Molecular Formula:

C17H22ClNO4

Molecular Weight:

339.8139

Catalog Number:

AG01DFJD

Chemical Name:

tert-butyl ((1R,3R)-1-(2-chlorophenyl)-3-hydroxy-2-oxocyclohexyl)carbamate

CAS Number:

1430202-80-4

Molecular Formula:

C17H22ClNO4

Molecular Weight:

339.8139

MDL Number:

MFCD31555306

IUPAC Name:

tert-butyl N-[(1R)-1-(2-chlorophenyl)-3-hydroxy-2-oxocyclohexyl]carbamate

InChI:

InChI=1S/C17H22ClNO4/c1-16(2,3)23-15(22)19-17(10-6-9-13(20)14(17)21)11-7-4-5-8-12(11)18/h4-5,7-8,13,20H,6,9-10H2,1-3H3,(H,19,22)/t13?,17-/m1/s1

InChI Key:

ULSXZAGXNBKQBP-LRHAYUFXSA-N

SMILES:

O=C(N[C@]1(CCC[C@H](C1=O)O)c1ccccc1Cl)OC(C)(C)C

Complexity:

462

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

339.124g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

339.816g/mol

Monoisotopic Mass:

339.124g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1