2-Bromo-3-hydroxybenzaldehyde

CAT: 0024-sc-265449ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-265449ASize:5 g

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CAS Number

196081-71-7

Chemical Information

2-Bromo-3-hydroxybenzaldehyde

CAS Number	196081-71-7
PubChem CID	3714674
IUPAC Name	2-bromo-3-hydroxybenzaldehyde
Molecular Formula	C7H5BrO2
Molecular Weight	201.02
XLogP	1.7
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	127

SMILES

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

InChI

InChI=1S/C7H5BrO2/c8-7-5(4-9)2-1-3-6(7)10/h1-4,10H

InChIKey

OHXPHMPERMIICA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 196081-71-7

CID: 3714674

Formula: C7H5BrO2

MW: 201.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.02
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	199.94729
Monoisotopic Mass	199.94729
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	127
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
sc-225959	3-Bromo-2-hydroxybenzaldehyde
sc-231514	3-Bromo-4-hydroxybenzaldehyde
sc-226521	4-Bromo-2-hydroxybenzaldehyde
sc-230038	2-Bromo-5-hydroxybenzaldehyde
sc-482260	2-Bromo-6-hydroxybenzaldehyde
sc-260798	3-Bromo-5-ethoxy-4-hydroxybenzaldehyde
sc-260798A	3-Bromo-5-ethoxy-4-hydroxybenzaldehyde
sc-282965	2-bromo-5-ethoxy-4-hydroxybenzaldehyde
sc-230112	2-Chloro-3-hydroxybenzaldehyde
sc-216461	3-Hydroxybenzaldehyde