3-bromo-5-hydroxy-4-methoxybenzaldehyde

CAT: 0127-OR1088116Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

23354-30-5

MDL Number

MFCD09756506

Smiles

C1 (cc (c (c (c1) O) OC) Br) C=O

Chemical Information

3-Bromo-5-hydroxy-4-methoxybenzaldehyde

CAS Number	23354-30-5
PubChem CID	12927995
IUPAC Name	3-bromo-5-hydroxy-4-methoxybenzaldehyde
Molecular Formula	C8H7BrO3
Molecular Weight	231.04
XLogP	1.7
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	162

SMILES

COC1=C(C=C(C=C1Br)C=O)O

InChI

InChI=1S/C8H7BrO3/c1-12-8-6(9)2-5(4-10)3-7(8)11/h2-4,11H,1H3

InChIKey

XUMZJGFRKABSNY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23354-30-5

CID: 12927995

Formula: C8H7BrO3

MW: 231.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.04
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	229.95786
Monoisotopic Mass	229.95786
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	162
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
OR1162-01	3-Bromo-4-hydroxy-5-methoxybenzaldehyde
OR2559	2-Bromo-5-hydroxy-4-methoxybenzaldehyde
OR52694-01	5-Bromo-2-hydroxy-4-methoxybenzaldehyde
OR1035787-01	4-Bromo-2-hydroxy-5-methoxybenzaldehyde
OR1098283-01	5-Bromo-4-hydroxy-2-methoxybenzaldehyde
OR80438-01	2-Bromo-4-hydroxy-5-methoxybenzaldehyde
OR322363-01	3-Bromo-2-hydroxy-5-methoxybenzaldehyde
OR21256	5-Bromo-2-hydroxy-3-methoxybenzaldehyde
OR1035050-01	3-Bromo-2-hydroxy-4-methoxybenzaldehyde
OR80356-01	2-Bromo-3-hydroxy-4-methoxybenzaldehyde

Catalog	Name
B21582-01	5-Bromo-4-Hydroxy-3-Methoxybenzaldehyde 97%
sc-230037	2-Bromo-5-hydroxy-4-methoxybenzaldehyde
sc-282960	2-bromo-4-hydroxy-5-methoxybenzaldehyde
sc-239027	5-Bromo-2-hydroxy-3-methoxybenzaldehyde
HY-401031-01	3-Bromo-2-hydroxy-4-methoxybenzaldehyde
sc-229986	2-Bromo-3-hydroxy-4-methoxybenzaldehyde
425630-01	3-Fluoro-4-hydroxy-5-methoxybenzaldehyde
sc-226016	3-Chloro-4-hydroxy-5-methoxybenzaldehyde
RG-A262430-01	3-Hydroxy-5-Iodo-4-Methoxybenzaldehyde
160593	3-Hydroxy-5-methoxybenzaldehyde