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125023-52-1 | 1H-Isoindol-3-amine, 5-[4-(1,1-dimethylethyl)phenoxy]-1-imino-
CAS No: 125023-52-1 Catalog No: AG000MZH MDL No:
Product Description
Catalog Number:
AG000MZH
Chemical Name:
1H-Isoindol-3-amine, 5-[4-(1,1-dimethylethyl)phenoxy]-1-imino-
CAS Number:
125023-52-1
Molecular Formula:
C18H19N3O
Molecular Weight:
293.3630
IUPAC Name:
5-(4-tert-butylphenoxy)-3-iminoisoindol-1-amine
InChI:
InChI=1S/C18H19N3O/c1-18(2,3)11-4-6-12(7-5-11)22-13-8-9-14-15(10-13)17(20)21-16(14)19/h4-10H,1-3H3,(H3,19,20,21)
InChI Key:
GFHQQVOZQHHZDG-UHFFFAOYSA-N
SMILES:
NC1=NC(=N)c2c1cc(cc2)Oc1ccc(cc1)C(C)(C)C
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.153g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.37g/mol
Monoisotopic Mass:
293.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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