200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 150443-58-6
150443-58-6 | 2-MERCAPTO-4-NITROBENZOIC ACID
CAS No: 150443-58-6 Catalog No: AG01BT78 MDL No:MFCD18904425
Product Description
Catalog Number:
AG01BT78
Chemical Name:
2-MERCAPTO-4-NITROBENZOIC ACID
CAS Number:
150443-58-6
Molecular Formula:
C7H5NO4S
Molecular Weight:
199.1839
MDL Number:
MFCD18904425
IUPAC Name:
4-nitro-2-sulfanylbenzoic acid
InChI:
InChI=1S/C7H5NO4S/c9-7(10)5-2-1-4(8(11)12)3-6(5)13/h1-3,13H,(H,9,10)
InChI Key:
HABGGBBWFAJWIB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1S)[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:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.