CAS
941608-41-9 Purity
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941608-41-9 Purity
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![Potassium 4-[2,5-dihydro-2-oxo-5-[(1-phenyl-1H-tetraazol-5-yl)thio]-4-[4-(tetradecyloxy)phenyl]-1H-imidazol-1-yl]benzene](https://resource.alfa-chemistry.com/structure/94166-37-7.gif)
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3-(o-Isocyanatobenzyl)-p-tolyl isocyanate
CAS
94166-35-5
Catalog Number
ACM94166355
Category
Other Products
Molecular Weight
264.278680 [g/mol]
Molecular Formula
C16H12N2O2
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Specification
Synonyms
EINECS 303-331-1, CID3023906, 3-(o-Isocyanatobenzyl)-p-tolyl isocyanate, 94166-35-5
IUPAC Name
4-isocyanato-2-[(2-isocyanatophenyl)methyl]-1-methylbenzene
Canonical SMILES
CC1=C(C=C(C=C1)N=C=O)CC2=CC=CC=C2N=C=O
InChI Key
UAWLZSHOYIKAEE-UHFFFAOYSA-N
Boiling Point
406ºC at 760mmHg
Flash Point
167.7ºC
Density
1.11g/cm³
EC Number
303-331-1
Exact Mass
264.09000
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of 3-(o-Isocyanatobenzyl)-p-tolyl isocyanate?
The molecular formula is C16H12N2O2.
What is the molecular weight of 3-(o-Isocyanatobenzyl)-p-tolyl isocyanate?
The molecular weight is 264.28 g/mol.
What is the IUPAC name of 3-(o-Isocyanatobenzyl)-p-tolyl isocyanate?
The IUPAC name is 4-isocyanato-2-[(2-isocyanatophenyl)methyl]-1-methylbenzene.
What is the InChI of 3-(o-Isocyanatobenzyl)-p-tolyl isocyanate?
The InChI is InChI=1S/C16H12N2O2/c1-12-6-7-15(17-10-19)9-14(12)8-13-4-2-3-5-16(13)18-11-20/h2-7,9H,8H2,1H3.
What is the InChIKey of 3-(o-Isocyanatobenzyl)-p-tolyl isocyanate?
The InChIKey is UAWLZSHOYIKAEE-UHFFFAOYSA-N.
What is the Canonical SMILES of 3-(o-Isocyanatobenzyl)-p-tolyl isocyanate?
The Canonical SMILES is CC1=C(C=C(C=C1)N=C=O)CC2=CC=CC=C2N=C=O.
What is the CAS number of 3-(o-Isocyanatobenzyl)-p-tolyl isocyanate?
The CAS number is 94166-35-5.
What is the XLogP3-AA value of 3-(o-Isocyanatobenzyl)-p-tolyl isocyanate?
The XLogP3-AA value is 5.8.
How many hydrogen bond acceptors does 3-(o-Isocyanatobenzyl)-p-tolyl isocyanate have?
It has 4 hydrogen bond acceptors.
Is 3-(o-Isocyanatobenzyl)-p-tolyl isocyanate a canonicalized compound?
Yes, it is a canonicalized compound.
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