Name: Name:2-Bromo-5-(piperidin-1-ylsulfonyl)benzoic acid
Brand: Angene
SKU: AG00I5XF
Rating: 90 (10 reviews)

2-Bromo-5-(piperidin-1-ylsulfonyl)benzoic acid

CAS No.:

313685-63-1

Catalog Number:

AG00I5XF

Molecular Formula:

C12H14BrNO4S

Molecular Weight:

348.2129

Catalog Number:

AG00I5XF

Chemical Name:

2-Bromo-5-(piperidin-1-ylsulfonyl)benzoic acid

CAS Number:

313685-63-1

Molecular Formula:

C12H14BrNO4S

Molecular Weight:

348.2129

MDL Number:

MFCD00760905

IUPAC Name:

2-bromo-5-piperidin-1-ylsulfonylbenzoic acid

InChI:

InChI=1S/C12H14BrNO4S/c13-11-5-4-9(8-10(11)12(15)16)19(17,18)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,15,16)

InChI Key:

DSYOIFDAVMWXDP-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(ccc1Br)S(=O)(=O)N1CCCCC1

Complexity:

428

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

346.983g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

348.211g/mol

Monoisotopic Mass:

346.983g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1