Name: Name:1-[4-(azepane-1-sulfonyl)phenyl]-2-bromoethan-1-one
Brand: Angene
SKU: AG00IDMJ
Rating: 90 (10 reviews)

1-[4-(azepane-1-sulfonyl)phenyl]-2-bromoethan-1-one

CAS No.:

852956-30-0

Catalog Number:

AG00IDMJ

Molecular Formula:

C14H18BrNO3S

Molecular Weight:

360.2666

Catalog Number:

AG00IDMJ

Chemical Name:

1-[4-(azepane-1-sulfonyl)phenyl]-2-bromoethan-1-one

CAS Number:

852956-30-0

Molecular Formula:

C14H18BrNO3S

Molecular Weight:

360.2666

MDL Number:

MFCD06655027

IUPAC Name:

1-[4-(azepan-1-ylsulfonyl)phenyl]-2-bromoethanone

InChI:

InChI=1S/C14H18BrNO3S/c15-11-14(17)12-5-7-13(8-6-12)20(18,19)16-9-3-1-2-4-10-16/h5-8H,1-4,9-11H2

InChI Key:

GCIDWSKQFYHZJU-UHFFFAOYSA-N

SMILES:

BrCC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1

Complexity:

416

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

359.019g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

360.266g/mol

Monoisotopic Mass:

359.019g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7