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380563-53-1 | 2-[4-(propan-2-yl)phenyl]-2,3-dihydro-1H-isoindol-1-imine
CAS No: 380563-53-1 Catalog No: AG01BJCY MDL No:MFCD03477569
Product Description
Catalog Number:
AG01BJCY
Chemical Name:
2-[4-(propan-2-yl)phenyl]-2,3-dihydro-1H-isoindol-1-imine
CAS Number:
380563-53-1
Molecular Formula:
C17H18N2
Molecular Weight:
250.3382
MDL Number:
MFCD03477569
IUPAC Name:
2-(4-propan-2-ylphenyl)-3H-isoindol-1-imine
InChI:
InChI=1S/C17H18N2/c1-12(2)13-7-9-15(10-8-13)19-11-14-5-3-4-6-16(14)17(19)18/h3-10,12,18H,11H2,1-2H3
InChI Key:
VQLAVEDFUZANND-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)N1Cc2c(C1=N)cccc2)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.345g/mol
Monoisotopic Mass:
250.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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