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17683-83-9 | Carbanilic acid, p-chloro-, (m-tolylimino)diethylene ester (8CI)
CAS No: 17683-83-9 Catalog No: AG0024XG MDL No:
Product Description
Catalog Number:
AG0024XG
Chemical Name:
Carbanilic acid, p-chloro-, (m-tolylimino)diethylene ester (8CI)
CAS Number:
17683-83-9
Molecular Formula:
C25H25Cl2N3O4
Molecular Weight:
502.3897
IUPAC Name:
2-[N-[2-[(4-chlorophenyl)carbamoyloxy]ethyl]-3-methylanilino]ethyl N-(4-chlorophenyl)carbamate
InChI:
InChI=1S/C25H25Cl2N3O4/c1-18-3-2-4-23(17-18)30(13-15-33-24(31)28-21-9-5-19(26)6-10-21)14-16-34-25(32)29-22-11-7-20(27)8-12-22/h2-12,17H,13-16H2,1H3,(H,28,31)(H,29,32)
InChI Key:
GYNNUQUGGVRBHZ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Cl)OCCN(c1cccc(c1)C)CCOC(=O)Nc1ccc(cc1)Cl
NSC Number:
109184
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
501.122g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
502.392g/mol
Monoisotopic Mass:
501.122g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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