CAS
96206-90-5 Purity
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96206-90-5 Purity
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7-Isocyanato-2,3-dihydrobenzo[b]furan
CAS
96219-40-8
Catalog Number
ACM96219408
Category
Other Products
Molecular Weight
161.16
Molecular Formula
C9H7NO2
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Specification
Synonyms
7-isocyanato-2,3-dihydrobenzo[b]furan, 96219-40-8, CTK5H8629, SBB087503, ZINC26340266, AKOS006309800, 2,3-dihydrobenzo[b]furan-7-isocyanate, AG-H-95046, CC00906, RP02172, Y4864
IUPAC Name
7-isocyanato-2,3-dihydro-1-benzofuran
Canonical SMILES
C1COC2=C1C=CC=C2N=C=O
InChI Key
SOJVUJUSOBTJEA-UHFFFAOYSA-N
Exact Mass
161.04800
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 7-isocyanato-2,3-dihydrobenzo[b]furan?
The molecular formula of 7-isocyanato-2,3-dihydrobenzo[b]furan is C9H7NO2.
When was 7-isocyanato-2,3-dihydrobenzo[b]furan created and modified in the PubChem database?
7-isocyanato-2,3-dihydrobenzo[b]furan was created on May 29, 2009, and modified on December 30, 2023.
What is the IUPAC name of 7-isocyanato-2,3-dihydrobenzo[b]furan?
The IUPAC name of 7-isocyanato-2,3-dihydrobenzo[b]furan is 7-isocyanato-2,3-dihydro-1-benzofuran.
What is the InChI of 7-isocyanato-2,3-dihydrobenzo[b]furan?
The InChI of 7-isocyanato-2,3-dihydrobenzo[b]furan is InChI=1S/C9H7NO2/c11-6-10-8-3-1-2-7-4-5-12-9(7)8/h1-3H,4-5H2.
How many hydrogen bond acceptors does 7-isocyanato-2,3-dihydrobenzo[b]furan have?
7-isocyanato-2,3-dihydrobenzo[b]furan has 3 hydrogen bond acceptors.
What is the exact mass of 7-isocyanato-2,3-dihydrobenzo[b]furan?
The exact mass of 7-isocyanato-2,3-dihydrobenzo[b]furan is 161.047678466 g/mol.
How many rotatable bonds does 7-isocyanato-2,3-dihydrobenzo[b]furan have?
7-isocyanato-2,3-dihydrobenzo[b]furan has 1 rotatable bond.
What is the topological polar surface area of 7-isocyanato-2,3-dihydrobenzo[b]furan?
The topological polar surface area of 7-isocyanato-2,3-dihydrobenzo[b]furan is 38.7 ².
Is 7-isocyanato-2,3-dihydrobenzo[b]furan a canonical compound?
Yes, 7-isocyanato-2,3-dihydrobenzo[b]furan is a canonical compound.
What is the complexity value of 7-isocyanato-2,3-dihydrobenzo[b]furan?
The complexity value of 7-isocyanato-2,3-dihydrobenzo[b]furan is 211.
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