Chemical Properties of 1H-Isoindol-1-one, 2,3-dihydro-3-imino-2-phenyl- (CAS 34446-14-5)

1H-Isoindol-1-one, 2,3-dihydro-3-imino-2-phenyl-

InChI
InChI=1S/C14H10N2O/c15-13-11-8-4-5-9-12(11)14(17)16(13)10-6-2-1-3-7-10/h1-9,15H
InChI Key
QEJRHIHNPZXIDK-UHFFFAOYSA-N
Formula
C14H10N2O
SMILES
N=C1c2ccccc2C(=O)N1c1ccccc1
Molecular Weight1
222.24
CAS
34446-14-5
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Physical Properties

Property Value Unit Source
ω 0.6574 Relay (1.0) Calculated Property
ΔfG° 198.24 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 121.86 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 89.15 kJ/mol Relay (1.0) Calculated Property
IE 7.95 eV Relay (1.0) Calculated Property
log10WS -3.41 Relay (1.0) Calculated Property
logPoct/wat 2.672 Crippen Calculated Property
McVol 166.970 ml/mol McGowan Calculated Property
Pc 3915.75 kPa Relay (1.0-beta) Calculated Property
Tboil 625.21 K Relay (1.0) Calculated Property
Tc 1000.87 K Relay (1.0) Calculated Property
Tfus 491.36 K Relay (1.0) Calculated Property
Vc 0.611 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxyhexopyranosyl)hexopyranoside. 2-Methyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cyclohepten-7-ol, acetate. 6-Tetrahydrocannabinol, 7-hydroxy, allyl-DMS. Cytosine arabinoside, methyl-TMS derivative. Cytosine arabinoside, dimethyl-propyldimethylsilyl derivative. Mirtazapine-M (nor-) AC. Bialophos, N,O,O-tris(tert-butyldimethylsilyl)deriv.. Benazepril desethyl 3Me (Benazeprilate 3Me). 2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cyclohepten-7-ol, acetate (ester). 18-Hydroxyoestrone (enol), TMS. Oxazolam. Cloxazolam. 2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cycloheptene. Mianserin. Sophoramine.

Find more compounds similar to 1H-Isoindol-1-one, 2,3-dihydro-3-imino-2-phenyl-.

Sources

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