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(Q106892472)
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2-acetamido-5-bromobenzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
256.96875521600003
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₈BrNO₃
1 reference
PubChem CID
520935
retrieved
18 May 2021
canonical SMILES
CC(=O)NC1=C(C=C(C=C1)Br)C(=O)O
1 reference
PubChem CID
520935
retrieved
18 May 2021
melting point
223
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
Identifiers
InChI
InChI=1S/C9H8BrNO3/c1-5(12)11-8-3-2-6(10)4-7(8)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
1 reference
PubChem CID
520935
retrieved
18 May 2021
InChIKey
QVABAFHRLMDDLM-UHFFFAOYSA-N
1 reference
PubChem CID
520935
retrieved
18 May 2021
CAS Registry Number
38985-79-4
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
520935
2 references
retrieved
18 May 2021
matched by identifier from
InChIKey
InChIKey
QVABAFHRLMDDLM-UHFFFAOYSA-N
UniChem compound ID
24115570
1 reference
stated in
UniChem
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