Name: Name:tert-butyl N-{2-[(3-bromo-5-fluorophenyl)methyl]-3-hydroxypropyl}carbamate
Brand: Angene
SKU: AG01C1X2
Rating: 90 (10 reviews)

tert-butyl N-{2-[(3-bromo-5-fluorophenyl)methyl]-3-hydroxypropyl}carbamate

CAS No.:

1698527-10-4

Catalog Number:

AG01C1X2

Molecular Formula:

C15H21BrFNO3

Molecular Weight:

362.2345

Catalog Number:

AG01C1X2

Chemical Name:

tert-butyl N-{2-[(3-bromo-5-fluorophenyl)methyl]-3-hydroxypropyl}carbamate

CAS Number:

1698527-10-4

Molecular Formula:

C15H21BrFNO3

Molecular Weight:

362.2345

MDL Number:

MFCD29047486

IUPAC Name:

tert-butyl N-[2-[(3-bromo-5-fluorophenyl)methyl]-3-hydroxypropyl]carbamate

InChI:

InChI=1S/C15H21BrFNO3/c1-15(2,3)21-14(20)18-8-11(9-19)4-10-5-12(16)7-13(17)6-10/h5-7,11,19H,4,8-9H2,1-3H3,(H,18,20)

InChI Key:

LWLKCOILIZCENI-UHFFFAOYSA-N

SMILES:

OCC(Cc1cc(F)cc(c1)Br)CNC(=O)OC(C)(C)C

Complexity:

335

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

361.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

362.239g/mol

Monoisotopic Mass:

361.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2