200,000+ products from a single source!

sales@angenechem.com

Home > Nitro Compounds > 7249-48-1

7249-48-1

7249-48-1 | 4-nitrobenzoyl chloride- 1-{[(4-methylphenyl)sulfanyl]methyl}piperidine(1:1)

CAS No: 7249-48-1 Catalog No: AG005T50 MDL No:

Product Description

Catalog Number:
AG005T50
Chemical Name:
4-nitrobenzoyl chloride- 1-{[(4-methylphenyl)sulfanyl]methyl}piperidine(1:1)
CAS Number:
7249-48-1
Molecular Formula:
C20H23ClN2O3S
Molecular Weight:
406.9262
IUPAC Name:
1-[(4-methylphenyl)sulfanylmethyl]piperidine;4-nitrobenzoyl chloride
InChI:
InChI=1S/C13H19NS.C7H4ClNO3/c1-12-5-7-13(8-6-12)15-11-14-9-3-2-4-10-14;8-7(10)5-1-3-6(4-2-5)9(11)12/h5-8H,2-4,9-11H2,1H3;1-4H
InChI Key:
FJHZCTHZJUERHJ-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc(cc1)[N+](=O)[O-].Cc1ccc(cc1)SCN1CCCCC1
NSC Number:
57998

Properties

Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.112g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.925g/mol
Monoisotopic Mass:
406.112g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Related Products

© 2019 Angene International Limited. All rights Reserved.