Name: Name:2-bromo-5-(prop-2-yne-1-sulfonyl)benzoic acid
Brand: Angene
SKU: AG01DTBR
Rating: 90 (10 reviews)

2-bromo-5-(prop-2-yne-1-sulfonyl)benzoic acid

CAS No.:

1152496-73-5

Catalog Number:

AG01DTBR

Molecular Formula:

C10H7BrO4S

Molecular Weight:

303.1292

Catalog Number:

AG01DTBR

Chemical Name:

2-bromo-5-(prop-2-yne-1-sulfonyl)benzoic acid

CAS Number:

1152496-73-5

Molecular Formula:

C10H7BrO4S

Molecular Weight:

303.1292

MDL Number:

MFCD11103032

IUPAC Name:

2-bromo-5-prop-2-ynylsulfonylbenzoic acid

InChI:

InChI=1S/C10H7BrO4S/c1-2-5-16(14,15)7-3-4-9(11)8(6-7)10(12)13/h1,3-4,6H,5H2,(H,12,13)

InChI Key:

LPBHCUJJOCSXNX-UHFFFAOYSA-N

SMILES:

C#CCS(=O)(=O)c1ccc(c(c1)C(=O)O)Br

Complexity:

414

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

301.925g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

303.126g/mol

Monoisotopic Mass:

301.925g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5