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159454-81-6 | 1H-Benz[f]isoindol-3-amine, 6-(1,1-dimethylethyl)-1-imino-
CAS No: 159454-81-6 Catalog No: AG001QP9 MDL No:
Product Description
Catalog Number:
AG001QP9
Chemical Name:
1H-Benz[f]isoindol-3-amine, 6-(1,1-dimethylethyl)-1-imino-
CAS Number:
159454-81-6
Molecular Formula:
C16H17N3
Molecular Weight:
251.3263
IUPAC Name:
6-tert-butyl-3-iminobenzo[f]isoindol-1-amine
InChI:
InChI=1S/C16H17N3/c1-16(2,3)11-5-4-9-7-12-13(8-10(9)6-11)15(18)19-14(12)17/h4-8H,1-3H3,(H3,17,18,19)
InChI Key:
YXKBOVZTPZVQQD-UHFFFAOYSA-N
SMILES:
N=C1N=C(c2c1cc1ccc(cc1c2)C(C)(C)C)N
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.333g/mol
Monoisotopic Mass:
251.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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