CAS
938458-94-7 Purity
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938458-94-7 Purity
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5-Bromo-2-(methoxymethyl)-1,3-benzoxazole
CAS
938458-97-0
Catalog Number
ACM938458970
Category
Other Products
Molecular Weight
242.069320 [g/mol]
Molecular Formula
C9H8BrNO2
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Specification
Synonyms
938458-97-0, Ambcb4009611, SureCN9967118, CTK5H3505, MolPort-016-630-921, ZINC19088898, AKOS006342002, AG-H-84180, 5-Bromo-2-(methoxymethyl)benzo[d]oxazole, AK106782, 5-BROMO-2-(METHOXYMETHYL)-1,3-BENZOXAZOLE
IUPAC Name
5-bromo-2-(methoxymethyl)-1,3-benzoxazole
Canonical SMILES
COCC1=NC2=C(O1)C=CC(=C2)Br
InChI Key
LMBMCMJRMKBCEZ-UHFFFAOYSA-N
Boiling Point
290ºC at 760 mmHg
Flash Point
129.2ºC
Density
1.562g/cm³
Exact Mass
240.97400
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 28063507?
The molecular formula is C9H8BrNO2.
What is the molecular weight of the compound?
The molecular weight is 242.07 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 5-bromo-2-(methoxymethyl)-1,3-benzoxazole.
What is the InChI of the compound?
The InChI is InChI=1S/C9H8BrNO2/c1-12-5-9-11-7-4-6(10)2-3-8(7)13-9/h2-4H,5H2,1H3.
What is the InChIKey of the compound?
The InChIKey is LMBMCMJRMKBCEZ-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is COCC1=NC2=C(O1)C=CC(=C2)Br.
What is the CAS number of the compound?
The CAS number is 938458-97-0.
How many hydrogen bond acceptors does the compound have?
The compound has 3 hydrogen bond acceptors.
What is the topological polar surface area of the compound?
The topological polar surface area is 35.3 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
938458-98-1 Purity
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938458-98-1 Purity
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