200,000+ products from a single source!
sales@angenechem.com
20745-74-8 | Benzoic acid, 5-chloro-2-[2-[(3-nitrophenyl)amino]-2-oxoethoxy]-, methyl ester
CAS No: 20745-74-8 Catalog No: AG002J2M MDL No:
Product Description
Catalog Number:
AG002J2M
Chemical Name:
Benzoic acid, 5-chloro-2-[2-[(3-nitrophenyl)amino]-2-oxoethoxy]-, methyl ester
CAS Number:
20745-74-8
Molecular Formula:
C16H13ClN2O6
Molecular Weight:
364.7372
IUPAC Name:
methyl 5-chloro-2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate
InChI:
InChI=1S/C16H13ClN2O6/c1-24-16(21)13-7-10(17)5-6-14(13)25-9-15(20)18-11-3-2-4-12(8-11)19(22)23/h2-8H,9H2,1H3,(H,18,20)
InChI Key:
FFJHLIHIQMHCOK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)ccc1OCC(=O)Nc1cccc(c1)[N+](=O)[O-]
NSC Number:
211080
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.046g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.738g/mol
Monoisotopic Mass:
364.046g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.