200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1258640-38-8
1258640-38-8 | 4-methoxy-5-(methylsulfanyl)-2-nitrobenzoic acid
CAS No: 1258640-38-8 Catalog No: AG01AAI7 MDL No:MFCD17167193
Product Description
Catalog Number:
AG01AAI7
Chemical Name:
4-methoxy-5-(methylsulfanyl)-2-nitrobenzoic acid
CAS Number:
1258640-38-8
Molecular Formula:
C9H9NO5S
Molecular Weight:
243.2365
MDL Number:
MFCD17167193
IUPAC Name:
4-methoxy-5-methylsulfanyl-2-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO5S/c1-15-7-4-6(10(13)14)5(9(11)12)3-8(7)16-2/h3-4H,1-2H3,(H,11,12)
InChI Key:
GTAANEOXZIUSGB-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(cc1SC)C(=O)O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.233g/mol
Monoisotopic Mass:
243.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.