CAS
93841-15-7 Purity
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93841-15-7 Purity
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1-(2-Isocyanatoethyl)naphthalene
CAS
93841-18-0
Catalog Number
ACM93841180
Category
Other Products
Molecular Weight
197.232540 [g/mol]
Molecular Formula
C13H11NO
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Specification
Synonyms
1-(2-Isocyanatoethyl)naphthalene, 93841-18-0, EINECS 298-988-3, AC1MIDGP, CTK5H3412, AG-H-84029, KB-213175
IUPAC Name
1-(2-isocyanatoethyl)naphthalene
Canonical SMILES
C1=CC=C2C(=C1)C=CC=C2CCN=C=O
InChI Key
PUZZJOQLEUZSGS-UHFFFAOYSA-N
Boiling Point
340.6ºC at 760mmHg
Flash Point
105.8ºC
Density
1.05g/cm³
EC Number
298-988-3
Exact Mass
197.08400
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1-(2-Isocyanatoethyl)naphthalene?
The molecular formula of 1-(2-Isocyanatoethyl)naphthalene is C13H11NO.
When was 1-(2-Isocyanatoethyl)naphthalene created in PubChem?
1-(2-Isocyanatoethyl)naphthalene was created in PubChem on 2005-08-08.
What is the molecular weight of 1-(2-Isocyanatoethyl)naphthalene?
The molecular weight of 1-(2-Isocyanatoethyl)naphthalene is 197.23 g/mol.
What is the InChIKey of 1-(2-Isocyanatoethyl)naphthalene?
The InChIKey of 1-(2-Isocyanatoethyl)naphthalene is PUZZJOQLEUZSGS-UHFFFAOYSA-N.
How many hydrogen bond acceptor count does 1-(2-Isocyanatoethyl)naphthalene have?
1-(2-Isocyanatoethyl)naphthalene has 2 hydrogen bond acceptor counts.
What is the topological polar surface area of 1-(2-Isocyanatoethyl)naphthalene?
The topological polar surface area of 1-(2-Isocyanatoethyl)naphthalene is 29.4 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many rotatable bond count does 1-(2-Isocyanatoethyl)naphthalene have?
1-(2-Isocyanatoethyl)naphthalene has 3 rotatable bond counts.
What is the complexity value of 1-(2-Isocyanatoethyl)naphthalene?
The complexity value of 1-(2-Isocyanatoethyl)naphthalene is 245.
What is the formal charge of 1-(2-Isocyanatoethyl)naphthalene?
The formal charge of 1-(2-Isocyanatoethyl)naphthalene is 0.
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