Name: Name:Acetic acid,2-[[(4-methoxy-3-nitrophenyl)methyl]thio]-
Brand: Angene
SKU: AG006ZFQ
Rating: 90 (10 reviews)

Acetic acid,2-[[(4-methoxy-3-nitrophenyl)methyl]thio]-

CAS No.:

22216-44-0

Catalog Number:

AG006ZFQ

Molecular Formula:

C10H11NO4S

Molecular Weight:

241.2636

Catalog Number:

AG006ZFQ

Chemical Name:

Acetic acid,2-[[(4-methoxy-3-nitrophenyl)methyl]thio]-

CAS Number:

22216-44-0

Molecular Formula:

C10H11NO4S

Molecular Weight:

241.2636

MDL Number:

MFCD09971670

IUPAC Name:

2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetic acid

InChI:

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

InChI Key:

YKRCQUVMNDWKPL-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1[N+](=O)[O-])CCC(=S)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