Name: Name:tert-butyl N-{2-[(3-bromo-4-fluorophenyl)methyl]-3-hydroxypropyl}carbamate
Brand: Angene
SKU: AG01C1PT
Rating: 90 (10 reviews)

tert-butyl N-{2-[(3-bromo-4-fluorophenyl)methyl]-3-hydroxypropyl}carbamate

CAS No.:

1701620-38-3

Catalog Number:

AG01C1PT

Molecular Formula:

C15H21BrFNO3

Molecular Weight:

362.2345

Catalog Number:

AG01C1PT

Chemical Name:

tert-butyl N-{2-[(3-bromo-4-fluorophenyl)methyl]-3-hydroxypropyl}carbamate

CAS Number:

1701620-38-3

Molecular Formula:

C15H21BrFNO3

Molecular Weight:

362.2345

MDL Number:

MFCD29047401

IUPAC Name:

tert-butyl N-[2-[(3-bromo-4-fluorophenyl)methyl]-3-hydroxypropyl]carbamate

InChI:

InChI=1S/C15H21BrFNO3/c1-15(2,3)21-14(20)18-8-11(9-19)6-10-4-5-13(17)12(16)7-10/h4-5,7,11,19H,6,8-9H2,1-3H3,(H,18,20)

InChI Key:

GRWQQOXMFZJRNQ-UHFFFAOYSA-N

SMILES:

OCC(Cc1ccc(c(c1)Br)F)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