Name: Name:tert-butyl 4-(chlorosulfonyl)-1,4-diazepane-1-carboxylate
Brand: Angene
SKU: AG01B3OH
Rating: 90 (10 reviews)

tert-butyl 4-(chlorosulfonyl)-1,4-diazepane-1-carboxylate

CAS No.:

1603173-59-6

Catalog Number:

AG01B3OH

Molecular Formula:

C10H19ClN2O4S

Molecular Weight:

298.7869

Catalog Number:

AG01B3OH

Chemical Name:

tert-butyl 4-(chlorosulfonyl)-1,4-diazepane-1-carboxylate

CAS Number:

1603173-59-6

Molecular Formula:

C10H19ClN2O4S

Molecular Weight:

298.7869

MDL Number:

MFCD31616749

IUPAC Name:

tert-butyl 4-chlorosulfonyl-1,4-diazepane-1-carboxylate

InChI:

InChI=1S/C10H19ClN2O4S/c1-10(2,3)17-9(14)12-5-4-6-13(8-7-12)18(11,15)16/h4-8H2,1-3H3

InChI Key:

MLPZHYQMQBAWIF-UHFFFAOYSA-N

SMILES:

O=C(N1CCCN(CC1)S(=O)(=O)Cl)OC(C)(C)C

Complexity:

399

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

298.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

298.782g/mol

Monoisotopic Mass:

298.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3