CAS
938458-82-3 Purity
96%
938458-82-3 Purity
96%
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5-(Bromomethyl)-3-ethyl-4,5-dihydroisoxazole
CAS
938458-87-8
Catalog Number
ACM938458878
Category
Other Products
Molecular Weight
192.053700 [g/mol]
Molecular Formula
C6H10BrNO
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Specification
Synonyms
Ambcb4003056, CTK5H3495, MolPort-016-630-863, AKOS006283258, AG-H-84170, 5-(BROMOMETHYL)-3-ETHYL-4,5-DIHYDROISOXAZOLE, 938458-87-8
IUPAC Name
5-(bromomethyl)-3-ethyl-4,5-dihydro-1,2-oxazole
Canonical SMILES
CCC1=NOC(C1)CBr
InChI Key
AVZKDSYPBXYOLW-UHFFFAOYSA-N
Boiling Point
219.2ºC at 760 mmHg
Flash Point
86.4ºC
Density
1.55g/cm³
Exact Mass
190.99500
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C6H10BrNO.
What is the molecular weight of the compound?
The molecular weight of the compound is 192.05 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-(bromomethyl)-3-ethyl-4,5-dihydro-1,2-oxazole.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C6H10BrNO/c1-2-5-3-6(4-7)9-8-5/h6H,2-4H2,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is AVZKDSYPBXYOLW-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCC1=NOC(C1)CBr.
What is the CAS number of the compound?
The CAS number of the compound is 938458-87-8.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.4.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
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