Name: Name:tert-butyl N-{[(3-bromophenyl)carbamoyl]methyl}carbamate
Brand: Angene
SKU: AG01A4ZP
Rating: 90 (10 reviews)

tert-butyl N-{[(3-bromophenyl)carbamoyl]methyl}carbamate

CAS No.:

1387533-90-5

Catalog Number:

AG01A4ZP

Molecular Formula:

C13H17BrN2O3

Molecular Weight:

329.1897

Catalog Number:

AG01A4ZP

Chemical Name:

tert-butyl N-{[(3-bromophenyl)carbamoyl]methyl}carbamate

CAS Number:

1387533-90-5

Molecular Formula:

C13H17BrN2O3

Molecular Weight:

329.1897

MDL Number:

MFCD24369191

IUPAC Name:

tert-butyl N-[2-(3-bromoanilino)-2-oxoethyl]carbamate

InChI:

InChI=1S/C13H17BrN2O3/c1-13(2,3)19-12(18)15-8-11(17)16-10-6-4-5-9(14)7-10/h4-7H,8H2,1-3H3,(H,15,18)(H,16,17)

InChI Key:

MBUXONDDHXTEKD-UHFFFAOYSA-N

SMILES:

O=C(Nc1cccc(c1)Br)CNC(=O)OC(C)(C)C

Complexity:

328

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

328.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

329.194g/mol

Monoisotopic Mass:

328.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5