CAS
94552-30-4 Purity
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94552-30-4 Purity
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2-Fluoro-4-Iodo-1-isothiocyanatobenzene
CAS
945530-32-5
Catalog Number
ACM945530325
Category
Other Products
Molecular Weight
244.260923;g/mol
Molecular Formula
C15H13FO2
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Specification
Synonyms
2-Fluoro-4-Iodo-1-isothiocyanatobenzene; 2-Fluoro-4-iodo-1-isothiocyanatobenzene; 2-Fluoro-4-iodophenyl isothiocyanate;
IUPAC Name
2-(3-fluoro-4-phenylphenyl)propanoicacid
Canonical SMILES
CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O
InChI Key
SYTBZMRGLBWNTM-UHFFFAOYSA-N
Boiling Point
295.8±30.0 °C (760 mmHg)
Density
1.85±0.1 g/cm³ (20 °C, 760 mmHg)
EC Number
225-827-6
Exact Mass
278.90100
What is the molecular formula of 2-fluoro-4-iodo-1-isothiocyanatobenzene?
The molecular formula is C7H3FINS.
What is the molecular weight of 2-fluoro-4-iodo-1-isothiocyanatobenzene?
The molecular weight is 279.08 g/mol.
What is the IUPAC name of 2-fluoro-4-iodo-1-isothiocyanatobenzene?
The IUPAC name is 2-fluoro-4-iodo-1-isothiocyanatobenzene.
What is the InChI of 2-fluoro-4-iodo-1-isothiocyanatobenzene?
The InChI is InChI=1S/C7H3FINS/c8-6-3-5(9)1-2-7(6)10-4-11/h1-3H.
What is the InChIKey of 2-fluoro-4-iodo-1-isothiocyanatobenzene?
The InChIKey is FUFNKKOFSVIDJW-UHFFFAOYSA-N.
What is the canonical SMILES of 2-fluoro-4-iodo-1-isothiocyanatobenzene?
The canonical SMILES is C1=CC(=C(C=C1I)F)N=C=S.
What is the XLogP3-AA value of 2-fluoro-4-iodo-1-isothiocyanatobenzene?
The XLogP3-AA value is 4.1.
How many hydrogen bond donor counts does 2-fluoro-4-iodo-1-isothiocyanatobenzene have?
It doesn't have any hydrogen bond donor count.
How many hydrogen bond acceptor counts does 2-fluoro-4-iodo-1-isothiocyanatobenzene have?
It has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does 2-fluoro-4-iodo-1-isothiocyanatobenzene have?
It has 1 rotatable bond count.
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