CAS
89972-77-0 Purity
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89972-77-0 Purity
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1-(4-Iodo-2-nitrophenyl)ethanone
CAS
89976-23-8
Catalog Number
ACM89976238
Category
Other Products
Molecular Weight
291.042610 [g/mol]
Molecular Formula
C8H6INO3
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Specification
Synonyms
1-(4-Iodo-2-nitrophenyl)ethanone, AK-38006, 89976-23-8
IUPAC Name
1-(4-iodo-2-nitrophenyl)ethanone
Canonical SMILES
CC(=O)C1=C(C=C(C=C1)I)[N+](=O)[O-]
InChI Key
YUCFQZGPPONQAV-UHFFFAOYSA-N
Boiling Point
369.03ºC at 760 mmHg
Flash Point
176.983ºC
Density
1.879g/cm³
Exact Mass
290.93900
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula for 1-(4-Iodo-2-nitrophenyl)ethanone?
The molecular formula is C8H6INO3.
What is the molecular weight of 1-(4-Iodo-2-nitrophenyl)ethanone?
The molecular weight is 291.04 g/mol.
What is the IUPAC name of 1-(4-Iodo-2-nitrophenyl)ethanone?
The IUPAC name is 1-(4-iodo-2-nitrophenyl)ethanone.
What is the InChI of 1-(4-Iodo-2-nitrophenyl)ethanone?
The InChI is InChI=1S/C8H6INO3/c1-5(11)7-3-2-6(9)4-8(7)10(12)13/h2-4H,1H3.
What is the InChIKey of 1-(4-Iodo-2-nitrophenyl)ethanone?
The InChIKey is YUCFQZGPPONQAV-UHFFFAOYSA-N.
What is the canonical SMILES of 1-(4-Iodo-2-nitrophenyl)ethanone?
The canonical SMILES is CC(=O)C1=C(C=C(C=C1)I)[N+](=O)[O-].
What is the XLogP3 value of 1-(4-Iodo-2-nitrophenyl)ethanone?
The XLogP3 value is 1.9.
How many hydrogen bond donor counts does 1-(4-Iodo-2-nitrophenyl)ethanone have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 1-(4-Iodo-2-nitrophenyl)ethanone have?
It has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does 1-(4-Iodo-2-nitrophenyl)ethanone have?
It has 1 rotatable bond count.
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