2-bromo-3-hydroxy-4-methylbenzaldehyde

CAT: 0127-OR1085633-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1085633-01Size:250 mg

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CAS Number

1784026-68-1

MDL Number

MFCD33415964

Purity

97%

Smiles

C1 (c (ccc (c1Br) C=O) C) O

Chemical Information

2-Bromo-3-hydroxy-4-methylbenzaldehyde

CAS Number	1784026-68-1
PubChem CID	20726125
IUPAC Name	2-bromo-3-hydroxy-4-methylbenzaldehyde
Molecular Formula	C8H7BrO2
Molecular Weight	215.04
XLogP	2.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	149

SMILES

CC1=C(C(=C(C=C1)C=O)Br)O

InChI

InChI=1S/C8H7BrO2/c1-5-2-3-6(4-10)7(9)8(5)11/h2-4,11H,1H3

InChIKey

UXLANESZDJRXQO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1784026-68-1

CID: 20726125

Formula: C8H7BrO2

MW: 215.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.04
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	213.96294
Monoisotopic Mass	213.96294
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	149
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
OR1100467-01	3-Bromo-2-hydroxy-4-methylbenzaldehyde
OR1092459-01	3-bromo-5-hydroxy-4-methylbenzaldehyde
OR1098881-01	3-Bromo-4-hydroxy-5-methylbenzaldehyde
OR1087072-01	2-bromo-4-hydroxy-6-methylbenzaldehyde
OR1050739-01	2-Bromo-5-hydroxy-4-methylbenzaldehyde
OR92869	4-Bromo-2-hydroxy-5-methylbenzaldehyde
OR1099620	5-Bromo-2-hydroxy-4-methylbenzaldehyde
OR1056784-01	2-Bromo-6-hydroxy-4-methylbenzaldehyde
OR1074401-01	4-Bromo-2-hydroxy-6-methylbenzaldehyde
OR1097111-01	3-Bromo-2-hydroxy-6-methylbenzaldehyde

Catalog	Name
IBA17254	3-Bromo-2-hydroxy-5-methylbenzaldehyde
IBA17256	5-bromo-2-hydroxy-3-methylbenzaldehyde
MFA64494-01	3-Bromo-6-hydroxy-2-methylbenzaldehyde
TN9341-01	4-Hydroxy-3-methylbenzaldehyde
GTR19255074-01	3-Hydroxy-4-methylbenzaldehyde
FH70218-01	2-Hydroxy-4-methylbenzaldehyde
FH70789-01	4-Hydroxy-2-methylbenzaldehyde
FB68056-01	4-Bromo-3-methylbenzaldehyde
424342-01	3-Bromo-4-methylbenzaldehyde