CAS
916176-50-6 Purity
96%
916176-50-6 Purity
96%
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3-Bromoindole-5-carboxylic Acid
CAS
916179-87-8
Catalog Number
ACM916179878
Category
Other Products
Molecular Weight
240.053440 [g/mol]
Molecular Formula
C9H6BrNO2
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Specification
Synonyms
3-BROMOINDOLE-5-CARBOXYLIC ACID, 916179-87-8, SureCN5434547, CTK8E1784, AKOS015898354, AB1000723, KB-235357, 3-BROMO-1H-INDOLE-5-CARBOXYLIC ACID, I10-0817
IUPAC Name
3-bromo-1H-indole-5-carboxylic acid
Canonical SMILES
C1=CC2=C(C=C1C(=O)O)C(=CN2)Br
InChI Key
VCNFRMMIMOPFGP-UHFFFAOYSA-N
Exact Mass
238.95800
H-Bond Acceptor
2
H-Bond Donor
2
What is the molecular formula of 3-Bromoindole-5-carboxylic Acid?
The molecular formula of 3-Bromoindole-5-carboxylic Acid is C9H6BrNO2.
What is the molecular weight of 3-Bromoindole-5-carboxylic Acid?
The molecular weight of 3-Bromoindole-5-carboxylic Acid is 240.05 g/mol.
What is the IUPAC name of 3-Bromoindole-5-carboxylic Acid?
The IUPAC name of 3-Bromoindole-5-carboxylic Acid is 3-bromo-1H-indole-5-carboxylic acid.
What is the InChI of 3-Bromoindole-5-carboxylic Acid?
The InChI of 3-Bromoindole-5-carboxylic Acid is InChI=1S/C9H6BrNO2/c10-7-4-11-8-2-1-5(9(12)13)3-6(7)8/h1-4,11H,(H,12,13).
What is the InChIKey of 3-Bromoindole-5-carboxylic Acid?
The InChIKey of 3-Bromoindole-5-carboxylic Acid is VCNFRMMIMOPFGP-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Bromoindole-5-carboxylic Acid?
The canonical SMILES of 3-Bromoindole-5-carboxylic Acid is C1=CC2=C(C=C1C(=O)O)C(=CN2)Br.
What is the CAS number of 3-Bromoindole-5-carboxylic Acid?
The CAS number of 3-Bromoindole-5-carboxylic Acid is 916179-87-8.
What is the molecular weight of 3-Bromoindole-5-carboxylic Acid computed by PubChem?
The molecular weight of 3-Bromoindole-5-carboxylic Acid computed by PubChem is 240.05 g/mol.
How many hydrogen bond donor count does 3-Bromoindole-5-carboxylic Acid have?
3-Bromoindole-5-carboxylic Acid has 2 hydrogen bond donor count.
How many rotatable bond count does 3-Bromoindole-5-carboxylic Acid have?
3-Bromoindole-5-carboxylic Acid has 1 rotatable bond count.
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