Name: Name:1-[3-(1-imino-2,3-dihydro-1H-isoindol-2-yl)phenyl]ethan-1-one
Brand: Angene
SKU: AG019PGA
Rating: 90 (10 reviews)

1-[3-(1-imino-2,3-dihydro-1H-isoindol-2-yl)phenyl]ethan-1-one

CAS No.:

300393-11-7

Catalog Number:

AG019PGA

Molecular Formula:

C16H14N2O

Molecular Weight:

250.2952

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

Complexity:

379

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

250.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

250.301g/mol

Monoisotopic Mass:

250.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3