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5-Bromosalicylhydroxamic acid

HCID 22046
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Basic information

CAS
5798-94-7
Standard SMILES
O=C(NO)c1cc(Br)ccc1O
InChIKey
RHTIMXFFOVWNLX-UHFFFAOYSA-N
Molecular formula
C7H6BrNO3
Average molar mass
232.03 g/mol
Monoisotopic mass
230.95310515

Names & identifiers

Preferred name
5-Bromosalicylhydroxamic acid
IUPAC
5-bromo-N,2-dihydroxybenzamide

Names & synonyms

5-Bromosalicylhydroxamic acidBromocyl5-bromo-N,2-dihydroxybenzamideBrosalamid5798-94-75-Bromosicylhydroxamic acid5-Bromosalicylhydroxamic acid [MI]Benzamide, 5-bromo-N,2-dihydroxy-6NAC6J5HWMUNII-6NAC6J5HWMOprea1_722675SCHEMBL678320
Show more names
CHEMBL444725DTXSID10871147RHTIMXFFOVWNLX-UHFFFAOYSA-NDB-123902NS000117605-bromo-2-hydroxy-benzenecarbohydroxamic acidQ27265196

Database identifiers

CAS
5798-94-7
PubChem CID
22046
DTXSID
DTXSID10871147
ChEMBL
CHEMBL444725
UNII
6NAC6J5HWM
Nikkaji
J8.068C

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
69.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
176

Experimental & physicochemical properties

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Related reactions

5 records
New reaction record
HRID 980427 reaction equation
HRID 980427As productuspto-grants-1987_01
HRID 980428 reaction equation
HRID 980428As reactantuspto-grants-1987_01
HRID 1482862 reaction equation
HRID 1482862As productuspto-grants-2016_08
HRID 1482863 reaction equation
HRID 1482863As reactantuspto-grants-2016_08
HRID 1545226 reaction equation
HRID 1545226As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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