CAS
90414-61-2 Purity
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90414-61-2 Purity
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5,7-Dibromo-benzofuran-2-carboxylic acid
CAS
90415-17-1
Catalog Number
ACM90415171
Category
Other Products
Molecular Weight
318.926320 [g/mol]
Molecular Formula
C9H4Br2O3
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Specification
Synonyms
ZINC03884946, CID7062553, 90415-17-1
IUPAC Name
5,7-dibromo-1-benzofuran-2-carboxylate
InChI Key
PTCVMMBMRYJVFE-UHFFFAOYSA-M
Boiling Point
418.4ºC at 760mmHg
Flash Point
206.9ºC
Density
2.115g/cm³
Exact Mass
317.85300
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 5,7-Dibromo-benzofuran-2-carboxylic acid?
The molecular formula is C9H4Br2O3.
When was 5,7-Dibromo-benzofuran-2-carboxylic acid created and modified in PubChem?
It was created on 2005-09-10 and modified on 2023-12-30.
What is the IUPAC Name of 5,7-Dibromo-benzofuran-2-carboxylic acid?
The IUPAC Name is 5,7-dibromo-1-benzofuran-2-carboxylic acid.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C1=C2C=C(OC2=C(C=C1Br)Br)C(=O)O.
What is the InChIKey of 5,7-Dibromo-benzofuran-2-carboxylic acid?
The InChIKey is PTCVMMBMRYJVFE-UHFFFAOYSA-N.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.6.
How many hydrogen bond donor counts does 5,7-Dibromo-benzofuran-2-carboxylic acid have?
It has 1 hydrogen bond donor count.
What is the exact mass of the compound?
The exact mass is 319.85067 g/mol.
How many heavy atoms are present in the compound?
There are 14 heavy atoms present.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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CAS
90416-47-0 Purity
96%
90416-47-0 Purity
96%
