Name: Name:2-[4-(chlorosulfonyl)-3-nitrophenyl]acetic acid
Brand: Angene
SKU: AG01APG3
Rating: 90 (10 reviews)

2-[4-(chlorosulfonyl)-3-nitrophenyl]acetic acid

CAS No.:

1864063-25-1

Catalog Number:

AG01APG3

Molecular Formula:

C8H6ClNO6S

Molecular Weight:

279.6543

Catalog Number:

AG01APG3

Chemical Name:

2-[4-(chlorosulfonyl)-3-nitrophenyl]acetic acid

CAS Number:

1864063-25-1

Molecular Formula:

C8H6ClNO6S

Molecular Weight:

279.6543

MDL Number:

MFCD29034739

IUPAC Name:

2-(4-chlorosulfonyl-3-nitrophenyl)acetic acid

InChI:

InChI=1S/C8H6ClNO6S/c9-17(15,16)7-2-1-5(4-8(11)12)3-6(7)10(13)14/h1-3H,4H2,(H,11,12)

InChI Key:

LVKSGTAPWYWVLP-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)Cl

Complexity:

411

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

278.96g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.647g/mol

Monoisotopic Mass:

278.96g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

126A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2