CAS
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1-Chloro-3-fluoro-2-isocyanatobenzene
Catalog Number
ACMA00001826
Category
Aryl Fluorinated Building Blocks
Molecular Weight
171.56
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Specification
Hazard Statements
H315-H319-H335
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of 1-Chloro-3-fluoro-2-isocyanatobenzene?
The molecular formula is C7H3ClFNO.
When was 1-Chloro-3-fluoro-2-isocyanatobenzene created on PubChem?
It was created on July 30, 2007.
What is the IUPAC name of 1-Chloro-3-fluoro-2-isocyanatobenzene?
The IUPAC name is 1-chloro-3-fluoro-2-isocyanatobenzene.
What is the canonical SMILES representation of 1-Chloro-3-fluoro-2-isocyanatobenzene?
The canonical SMILES is C1=CC(=C(C(=C1)Cl)N=C=O)F.
What is the molecular weight of 1-Chloro-3-fluoro-2-isocyanatobenzene?
The molecular weight is 171.55 g/mol.
What is the XLogP3-AA value of 1-Chloro-3-fluoro-2-isocyanatobenzene?
The XLogP3-AA value is 3.5.
How many hydrogen bond acceptors does 1-Chloro-3-fluoro-2-isocyanatobenzene have?
It has 3 hydrogen bond acceptors.
What is the exact mass of 1-Chloro-3-fluoro-2-isocyanatobenzene?
The exact mass is 170.9887196 g/mol.
How many rotatable bonds does 1-Chloro-3-fluoro-2-isocyanatobenzene have?
It has 1 rotatable bond.
Is 1-Chloro-3-fluoro-2-isocyanatobenzene a canonicalized compound?
Yes, 1-Chloro-3-fluoro-2-isocyanatobenzene is canonicalized.
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