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85223-05-8 | 2-[[4-(2,2-DICYANOVINYL)PHENYL](2-PHENYLETHYL)AMINO]ETHYL (3,4-DICHLOROPHENYL)CARBAMATE
CAS No: 85223-05-8 Catalog No: AG004Q8U MDL No:
Product Description
Catalog Number:
AG004Q8U
Chemical Name:
2-[[4-(2,2-DICYANOVINYL)PHENYL](2-PHENYLETHYL)AMINO]ETHYL (3,4-DICHLOROPHENYL)CARBAMATE
CAS Number:
85223-05-8
Molecular Formula:
C27H22Cl2N4O2
Molecular Weight:
505.3952
IUPAC Name:
2-[4-(2,2-dicyanoethenyl)-N-(2-phenylethyl)anilino]ethyl N-(3,4-dichlorophenyl)carbamate
InChI:
InChI=1S/C27H22Cl2N4O2/c28-25-11-8-23(17-26(25)29)32-27(34)35-15-14-33(13-12-20-4-2-1-3-5-20)24-9-6-21(7-10-24)16-22(18-30)19-31/h1-11,16-17H,12-15H2,(H,32,34)
InChI Key:
XKXRMIZXLDXFLQ-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(cc1)N(CCc1ccccc1)CCOC(=O)Nc1ccc(c(c1)Cl)Cl)C#N
EC Number:
286-358-0
Properties
Complexity:
785
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
504.112g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
505.399g/mol
Monoisotopic Mass:
504.112g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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