CAS
62129-39-9 Purity
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62129-39-9 Purity
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1-(2-Bromoethoxy)-2-fluorobenzene
CAS
193220-21-2
Catalog Number
ACM193220212
Category
Bromine Series
Molecular Weight
219.05
Molecular Formula
C8H8BrFO
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Specification
Synonyms
1-(2-Bromo-ethoxy)-2-fluorobenzene;2-Fluorophenoxyethyl bromide
IUPAC Name
1-(2-bromoethoxy)-2-fluorobenzene
Canonical SMILES
C1=CC=C(C(=C1)OCCBr)F
InChI Key
NSMQOWMNTQCZPM-UHFFFAOYSA-N
Boiling Point
250.4ºC at 760mmHg
Flash Point
125.2ºC
Density
1.486g/cm³
Exact Mass
217.97400
Hazard Statements
Xn: Harmful;Xi: Irritant;
H-Bond Acceptor
2
H-Bond Donor
0
Safety Description
S37/39
What is the IUPAC name of the chemical compound with PubChem CID 2386106?
The IUPAC name is 1-(2-bromoethoxy)-2-fluorobenzene.
What is the molecular formula of the chemical compound?
The molecular formula is C8H8BrFO.
What is the molecular weight of the chemical compound?
The molecular weight is 219.05 g/mol.
What is the CAS number of the chemical compound?
The CAS number is 193220-21-2.
What is the InChIKey of the chemical compound?
The InChIKey is NSMQOWMNTQCZPM-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the chemical compound have?
The chemical compound has 0 hydrogen bond donor counts.
What is the XLogP3 value of the chemical compound?
The XLogP3 value is 2.9.
How many rotatable bond counts does the chemical compound have?
The chemical compound has 3 rotatable bond counts.
What is the topological polar surface area of the chemical compound?
The topological polar surface area is 9.2Ų.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized according to PubChem.
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