200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1014-94-4
1014-94-4 | Carbonothioic acid, O-methyl O-(4-nitrophenyl) ester
CAS No: 1014-94-4 Catalog No: AG0004EU MDL No:
Product Description
Catalog Number:
AG0004EU
Chemical Name:
Carbonothioic acid, O-methyl O-(4-nitrophenyl) ester
CAS Number:
1014-94-4
Molecular Formula:
C8H7NO4S
Molecular Weight:
213.2105
IUPAC Name:
methoxy-(4-nitrophenoxy)methanethione
InChI:
InChI=1S/C8H7NO4S/c1-12-8(14)13-7-4-2-6(3-5-7)9(10)11/h2-5H,1H3
InChI Key:
NVWVRLADZILTJW-UHFFFAOYSA-N
SMILES:
COC(=S)Oc1ccc(cc1)[N+](=O)[O-]
NSC Number:
171717
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.207g/mol
Monoisotopic Mass:
213.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Kinetic study of the phenolysis of bis(4-nitrophenyl) carbonate, bis(4-nitrophenyl) thionocarbonate, and methyl 4-nitrophenyl thionocarbonate. | The Journal of organic chemistry 20011005 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.