Name: Name:tert-butyl 6-bromo-2,3,4,5-tetrahydro-1H-azepine-1-carboxylate
Brand: Angene
SKU: AG01EM2W
Rating: 90 (10 reviews)

tert-butyl 6-bromo-2,3,4,5-tetrahydro-1H-azepine-1-carboxylate

CAS No.:

2126159-83-7

Catalog Number:

AG01EM2W

Molecular Formula:

C11H18BrNO2

Molecular Weight:

276.1701

Catalog Number:

AG01EM2W

Chemical Name:

tert-butyl 6-bromo-2,3,4,5-tetrahydro-1H-azepine-1-carboxylate

CAS Number:

2126159-83-7

Molecular Formula:

C11H18BrNO2

Molecular Weight:

276.1701

MDL Number:

MFCD31381340

IUPAC Name:

tert-butyl 6-bromo-2,3,4,5-tetrahydroazepine-1-carboxylate

InChI:

InChI=1S/C11H18BrNO2/c1-11(2,3)15-10(14)13-7-5-4-6-9(12)8-13/h8H,4-7H2,1-3H3

InChI Key:

WXBGEQNCPITVRE-UHFFFAOYSA-N

SMILES:

BrC1=CN(CCCC1)C(=O)OC(C)(C)C

Complexity:

268

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

275.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

276.174g/mol

Monoisotopic Mass:

275.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7