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300393-11-7 | 1-[3-(1-imino-2,3-dihydro-1H-isoindol-2-yl)phenyl]ethan-1-one
CAS No: 300393-11-7 Catalog No: AG019PGA MDL No:MFCD01089367
Product Description
Catalog Number:
AG019PGA
Chemical Name:
1-[3-(1-imino-2,3-dihydro-1H-isoindol-2-yl)phenyl]ethan-1-one
CAS Number:
300393-11-7
Molecular Formula:
C16H14N2O
Molecular Weight:
250.2952
MDL Number:
MFCD01089367
IUPAC Name:
1-[3-(3-imino-1H-isoindol-2-yl)phenyl]ethanone
InChI:
InChI=1S/C16H14N2O/c1-11(19)12-6-4-7-14(9-12)18-10-13-5-2-3-8-15(13)16(18)17/h2-9,17H,10H2,1H3
InChI Key:
WRDGMMDGYNHYCU-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1)N1Cc2c(C1=N)cccc2
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.301g/mol
Monoisotopic Mass:
250.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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