4-Bromo-3,5-dihydroxybenzamide

CAT: 0926-FB70996-01Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-FB70996-01Size:50 g

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CAS Number

13429-12-4

Synonyms

4-Bromo-α-resorcylamide

MDL Number

MFCD00017131

Smiles

C1=C (C=C (C (=C1O) Br) O) C (=O) N

Molecular Formula

C7H6BrNO3

Molecular Weight

232.03 g/mol

Controlled

Chemical Information

Benzamide, 4-bromo-3,5-dihydroxy-

CAS Number	13429-12-4
PubChem CID	83438
IUPAC Name	4-bromo-3,5-dihydroxybenzamide
Molecular Formula	C7H6BrNO3
Molecular Weight	232.03
XLogP	0.8
Topological Polar Surface Area	83.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	175

SMILES

C1=C(C=C(C(=C1O)Br)O)C(=O)N

InChI

InChI=1S/C7H6BrNO3/c8-6-4(10)1-3(7(9)12)2-5(6)11/h1-2,10-11H,(H2,9,12)

InChIKey

GCNIEGHLVCGBRA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13429-12-4

CID: 83438

Formula: C7H6BrNO3

MW: 232.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.03
XLogP3	0.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	230.95311
Monoisotopic Mass	230.95311
Topological Polar Surface Area	83.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	175
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FD61768-01	3,5-Dihydroxybenzamide
LCA79978	4-Chloro-N,2-dihydroxybenzamide
KBA35291	4-Amino-N,2-dihydroxybenzamide
PEA25520-01	4-Amino-N,2-dihydroxybenzamide hydrochloride
FD70170-01	2,6-Dihydroxybenzamide
ZPA63324	3-Bromo-4,5-difluoronitrobenzene
FB67143-01	4-Bromo-3,5-dinitroaniline
HXC02608-01	4-Bromo-3,5-difluorobenzodifluoride
HJA27547-01	4-Bromo-3,5-dimethoxyaniline
NB67655-01	4-Bromo-3,5-dichloropyridine

Catalog	Name
sc-267320	4-Bromo-3,5-dihydroxybenzamide
OR1003118-01	4-Bromo-N,2-dihydroxybenzamide
sc-266960	3,5-Dihydroxybenzamide
abx180384-01	3,4-Dihydroxybenzamide
D28290	3,5-Dihydroxybenzamide 97%
457133	N- (3,5-Dichloro-4-pyridinyl) -3,4-dihydroxybenzamide
420258-01	2,4-Dihydroxybenzamide
OR1069108-01	N- (3,5-Dichloropyridin-4-yl) -3,4-dihydroxybenzamide
RG-A263109-01	2,5-Dihydroxybenzamide
sc-355769A	N,3-dihydroxybenzamide