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88046-80-4 | Ethanimidamide, N-(1-chloroethenyl)-N,N'-bis(3-methylphenyl)-
CAS No: 88046-80-4 Catalog No: AG004G3H MDL No:
Product Description
Catalog Number:
AG004G3H
Chemical Name:
Ethanimidamide, N-(1-chloroethenyl)-N,N'-bis(3-methylphenyl)-
CAS Number:
88046-80-4
Molecular Formula:
C18H19ClN2
Molecular Weight:
298.8099
IUPAC Name:
N-(1-chloroethenyl)-N,N'-bis(3-methylphenyl)ethanimidamide
InChI:
InChI=1S/C18H19ClN2/c1-13-7-5-9-17(11-13)20-16(4)21(15(3)19)18-10-6-8-14(2)12-18/h5-12H,3H2,1-2,4H3
InChI Key:
CWDAGFRVZRHBEO-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)N=C(N(c1cccc(c1)C)C(=C)Cl)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.124g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.814g/mol
Monoisotopic Mass:
298.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
15.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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