Name: Name:3-(4-Methylthiophenyl)-5-nitrobenzoic acid
Brand: Angene
SKU: AG000S97
Rating: 90 (10 reviews)

3-(4-Methylthiophenyl)-5-nitrobenzoic acid

CAS No.:

1261966-64-6

Catalog Number:

AG000S97

Molecular Formula:

C14H11NO4S

Molecular Weight:

289.3064

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

95%

In Stock USA

United States

$150

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95%

In Stock USA

United States

$450

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Catalog Number:

AG000S97

Chemical Name:

3-(4-Methylthiophenyl)-5-nitrobenzoic acid

CAS Number:

1261966-64-6

Molecular Formula:

C14H11NO4S

Molecular Weight:

289.3064

MDL Number:

MFCD18320542

IUPAC Name:

3-(4-methylsulfanylphenyl)-5-nitrobenzoic acid

InChI:

InChI=1S/C14H11NO4S/c1-20-13-4-2-9(3-5-13)10-6-11(14(16)17)8-12(7-10)15(18)19/h2-8H,1H3,(H,16,17)

InChI Key:

CZCWYKIVZZCALR-UHFFFAOYSA-N

SMILES:

CSc1ccc(cc1)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]

Complexity:

363

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

289.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

289.305g/mol

Monoisotopic Mass:

289.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4