Name: Name:tert-butyl ((4-bromophenyl)(cyano)methyl)carbamate
Brand: Angene
SKU: AG01DJP1
Rating: 90 (10 reviews)

tert-butyl ((4-bromophenyl)(cyano)methyl)carbamate

CAS No.:

774225-42-2

Catalog Number:

AG01DJP1

Molecular Formula:

C13H15BrN2O2

Molecular Weight:

311.1744

Catalog Number:

AG01DJP1

Chemical Name:

tert-butyl ((4-bromophenyl)(cyano)methyl)carbamate

CAS Number:

774225-42-2

Molecular Formula:

C13H15BrN2O2

Molecular Weight:

311.1744

IUPAC Name:

tert-butyl N-[(4-bromophenyl)-cyanomethyl]carbamate

InChI:

InChI=1S/C13H15BrN2O2/c1-13(2,3)18-12(17)16-11(8-15)9-4-6-10(14)7-5-9/h4-7,11H,1-3H3,(H,16,17)

InChI Key:

WUAIKQYQAWTADK-UHFFFAOYSA-N

SMILES:

N#CC(c1ccc(cc1)Br)NC(=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:

310.032g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

311.179g/mol

Monoisotopic Mass:

310.032g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1