2-Bromo-3,4-dihydroxybenzaldehyde

CAT: 0926-EAA81597-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-EAA81597-01Size:1 g

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CAS Number

4815-97-8

MDL Number

MFCD24714545

Smiles

C1=CC (=C (C (=C1C=O) Br) O) O

Molecular Formula

C7H5BrO3

Molecular Weight

217.02 g/mol

Controlled

Chemical Information

2-Bromo-3,4-dihydroxybenzaldehyde

CAS Number	4815-97-8
PubChem CID	13109575
IUPAC Name	2-bromo-3,4-dihydroxybenzaldehyde
Molecular Formula	C7H5BrO3
Molecular Weight	217.02
XLogP	1.4
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	151

SMILES

C1=CC(=C(C(=C1C=O)Br)O)O

InChI

InChI=1S/C7H5BrO3/c8-6-4(3-9)1-2-5(10)7(6)11/h1-3,10-11H

InChIKey

QVOCITAVBWSYRN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4815-97-8

CID: 13109575

Formula: C7H5BrO3

MW: 217.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.02
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	215.94221
Monoisotopic Mass	215.94221
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	151
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
GIC82161-01	4-bromo-2,5-dihydroxybenzaldehyde
FB70549-01	5-Bromo-3,4-dihydroxybenzaldehyde
IBA85145-01	3-Bromo-2,5-dihydroxybenzaldehyde
CCA92455-01	5-Bromo-2,3-dihydroxybenzaldehyde
FD22100-01	2,4-Dihydroxybenzaldehyde
FD09879-01	3,4-Dihydroxybenzaldehyde
FD22099-01	2,3-Dihydroxybenzaldehyde
FD184497	2,4-Dichloro-3,5-dihydroxybenzaldehyde
FD69848-01	2,3-Dibromo-4,5-dihydroxybenzaldehyde
FT184498	2,4,6-Trichloro-3,5-dihydroxybenzaldehyde

Catalog	Name
OR77777-01	2-Bromo-3,4-dihydroxybenzaldehyde
OR370094	4-Bromo-2,3-Dihydroxybenzaldehyde
OR93932-01	4-Bromo-2,5-dihydroxybenzaldehyde
OR91499-01	5-Bromo-2,4-dihydroxybenzaldehyde
OR1032400	2-Bromo-4,5-dihydroxybenzaldehyde
OR76665-01	3-Bromo-4,5-dihydroxybenzaldehyde
OR1046971-01	6-Bromo-2,3-dihydroxybenzaldehyde
sc-346555A	3-bromo-2,5-dihydroxybenzaldehyde
OR33496-01	2-Bromo-3,6-dihydroxybenzaldehyde
OR83403	5-Bromo-2,3-dihydroxybenzaldehyde