Name: Name:2-[(2-methoxyethyl)sulfanyl]-5-nitrobenzoic acid
Brand: Angene
SKU: AG01A3IG
Rating: 90 (10 reviews)

2-[(2-methoxyethyl)sulfanyl]-5-nitrobenzoic acid

CAS No.:

1156592-31-2

Catalog Number:

AG01A3IG

Molecular Formula:

C10H11NO5S

Molecular Weight:

257.2630

Catalog Number:

AG01A3IG

Chemical Name:

2-[(2-methoxyethyl)sulfanyl]-5-nitrobenzoic acid

CAS Number:

1156592-31-2

Molecular Formula:

C10H11NO5S

Molecular Weight:

257.2630

MDL Number:

MFCD12411658

IUPAC Name:

2-(2-methoxyethylsulfanyl)-5-nitrobenzoic acid

InChI:

InChI=1S/C10H11NO5S/c1-16-4-5-17-9-3-2-7(11(14)15)6-8(9)10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)

InChI Key:

FUWXCWSKMDRQSV-UHFFFAOYSA-N

SMILES:

COCCSc1ccc(cc1C(=O)O)[N+](=O)[O-]

Complexity:

280

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.26g/mol

Monoisotopic Mass:

257.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

118A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8