CAS
93858-92-5 Purity
96%
93858-92-5 Purity
96%
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2-Dodecyl-1,3-phenylene diisocyanate
CAS
93859-03-1
Catalog Number
ACM93859031
Category
Other Products
Molecular Weight
328.448520 [g/mol]
Molecular Formula
C20H28N2O2
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Specification
Synonyms
EINECS 299-338-1, 2-Dodecyl-1,3-phenylene diisocyanate, Benzene, 2-dodecyl-1,3-diisocyanato-, 93859-03-1
IUPAC Name
2-dodecyl-1,3-diisocyanatobenzene
SMILES
CCCCCCCCCCCCC1=C(C=CC=C1N=C=O)N=C=O
InChI Key
HOFCVMOJMJPJEW-UHFFFAOYSA-N
Boiling Point
433.8ºC at 760mmHg
Flash Point
179.1ºC
Density
0.99g/cm³
EC Number
299-338-1
Exact Mass
328.21500
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of 2-Dodecyl-1,3-phenylene diisocyanate?
The molecular formula of 2-Dodecyl-1,3-phenylene diisocyanate is C20H28N2O2.
When was 2-Dodecyl-1,3-phenylene diisocyanate created?
2-Dodecyl-1,3-phenylene diisocyanate was created on August 20, 2009.
What is the IUPAC name of 2-Dodecyl-1,3-phenylene diisocyanate?
The IUPAC name of 2-Dodecyl-1,3-phenylene diisocyanate is 2-dodecyl-1,3-diisocyanatobenzene.
What is the InChI of 2-Dodecyl-1,3-phenylene diisocyanate?
The InChI of 2-Dodecyl-1,3-phenylene diisocyanate is InChI=1S/C20H28N2O2/c1-2-3-4-5-6-7-8-9-10-11-13-18-19(21-16-23)14-12-15-20(18)22-17-24/h12,14-15H,2-11,13H2,1H3.
What is the Canonical SMILES of 2-Dodecyl-1,3-phenylene diisocyanate?
The Canonical SMILES of 2-Dodecyl-1,3-phenylene diisocyanate is CCCCCCCCCCCCC1=C(C=CC=C1N=C=O)N=C=O.
What is the molecular weight of 2-Dodecyl-1,3-phenylene diisocyanate?
The molecular weight of 2-Dodecyl-1,3-phenylene diisocyanate is 328.4 g/mol.
How many hydrogen bond acceptor counts are there in 2-Dodecyl-1,3-phenylene diisocyanate?
There are 4 hydrogen bond acceptor counts in 2-Dodecyl-1,3-phenylene diisocyanate.
What is the topological polar surface area of 2-Dodecyl-1,3-phenylene diisocyanate?
The topological polar surface area of 2-Dodecyl-1,3-phenylene diisocyanate is 58.9 ².
How many rotatable bond counts are there in 2-Dodecyl-1,3-phenylene diisocyanate?
There are 13 rotatable bond counts in 2-Dodecyl-1,3-phenylene diisocyanate.
Is 2-Dodecyl-1,3-phenylene diisocyanate a canonicalized compound?
Yes, 2-Dodecyl-1,3-phenylene diisocyanate is a canonicalized compound according to PubChem.
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