CAS
954239-64-6 Purity
96%
954239-64-6 Purity
96%
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7-Bromo-benzooxazole-2-carboxylic acid methyl ester
CAS
954239-78-2
Catalog Number
ACM954239782
Category
Other Products
Molecular Weight
256.0553
Molecular Formula
C9H6BrNO3
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Specification
Synonyms
954239-78-2, Methyl 7-bromobenzo[d]oxazole-2-carboxylate, 7-BROMO-BENZOOXAZOLE-2-CARBOXYLIC ACID METHYL ESTER, CTK8B9989, ANW-63822, WTI-11683, AKOS016003566, QC-8091, AK-68502, KB-46201, Z-6356
IUPAC Name
methyl 7-bromo-1,3-benzoxazole-2-carboxylate
Canonical SMILES
COC(=O)C1=NC2=C(O1)C(=CC=C2)Br
InChI Key
SBTSZQYXJFNLCG-UHFFFAOYSA-N
Exact Mass
254.95300
H-Bond Acceptor
4
H-Bond Donor
0
MDL Number
MFCD09832207
Size
50mg,100mg,250mg,500mg,1g,5g
What is the molecular formula of the compound?
The molecular formula of the compound is C9H6BrNO3.
What is the molecular weight of the compound?
The molecular weight of the compound is 256.05 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is methyl 7-bromo-1,3-benzoxazole-2-carboxylate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H6BrNO3/c1-13-9(12)8-11-6-4-2-3-5(10)7(6)14-8/h2-4H,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is SBTSZQYXJFNLCG-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is COC(=O)C1=NC2=C(O1)C(=CC=C2)Br.
What is the CAS number of the compound?
The CAS number of the compound is 954239-78-2.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.6.
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 4 hydrogen bond acceptor counts.
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