200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 62486-43-5
62486-43-5 | 3-mercapto-4-nitrobenzoic acid
CAS No: 62486-43-5 Catalog No: AG01BJD3 MDL No:MFCD22481782
Product Description
Catalog Number:
AG01BJD3
Chemical Name:
3-mercapto-4-nitrobenzoic acid
CAS Number:
62486-43-5
Molecular Formula:
C7H5NO4S
Molecular Weight:
199.1839
MDL Number:
MFCD22481782
IUPAC Name:
4-nitro-3-sulfanylbenzoic acid
InChI:
InChI=1S/C7H5NO4S/c9-7(10)4-1-2-5(8(11)12)6(13)3-4/h1-3,13H,(H,9,10)
InChI Key:
AIZFMMQFUASJCC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)S)[N+](=O)[O-]
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.18g/mol
Monoisotopic Mass:
198.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.