Name: Name:[(4-nitrophenyl)sulfonyl]acetic acid
Brand: Angene
SKU: AG0074CO
Rating: 90 (10 reviews)

[(4-nitrophenyl)sulfonyl]acetic acid

CAS No.:

3937-94-8

Catalog Number:

AG0074CO

Molecular Formula:

C8H7NO6S

Molecular Weight:

245.2093

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Product Description

Catalog Number:

AG0074CO

Chemical Name:

[(4-nitrophenyl)sulfonyl]acetic acid

CAS Number:

3937-94-8

Molecular Formula:

C8H7NO6S

Molecular Weight:

245.2093

MDL Number:

MFCD03983033

IUPAC Name:

2-(4-nitrophenyl)sulfonylacetic acid

InChI:

InChI=1S/C8H7NO6S/c10-8(11)5-16(14,15)7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H,10,11)

InChI Key:

SICAMBKGKQLIOL-UHFFFAOYSA-N

SMILES:

OC(=O)CS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:

370

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

244.999g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.205g/mol

Monoisotopic Mass:

244.999g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

126A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6

Literature

Title	Journal
1-Methyl-sulfon-yl-4-nitro-benzene.	Acta crystallographica. Section E, Structure reports online 20081201