Name: Name:2-[(2-methylpropyl)sulfanyl]-5-nitrobenzoic acid
Brand: Angene
SKU: AG01A3IN
Rating: 90 (10 reviews)

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

CAS No.:

1152516-63-6

Catalog Number:

AG01A3IN

Molecular Formula:

C11H13NO4S

Molecular Weight:

255.2902

Catalog Number:

AG01A3IN

Chemical Name:

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

CAS Number:

1152516-63-6

Molecular Formula:

C11H13NO4S

Molecular Weight:

255.2902

MDL Number:

MFCD10689076

IUPAC Name:

2-(2-methylpropylsulfanyl)-5-nitrobenzoic acid

InChI:

InChI=1S/C11H13NO4S/c1-7(2)6-17-10-4-3-8(12(15)16)5-9(10)11(13)14/h3-5,7H,6H2,1-2H3,(H,13,14)

InChI Key:

NUYDWBFHNODZQP-UHFFFAOYSA-N

SMILES:

CC(CSc1ccc(cc1C(=O)O)[N+](=O)[O-])C

Complexity:

290

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

255.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

255.288g/mol

Monoisotopic Mass:

255.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2