2-Bromo-6-hydroxy-4-methylbenzaldehyde

CAT: 0127-OR1056784-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1056784-01Size:100 mg

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CAS Number

139976-21-9

MDL Number

MFCD23705498

Purity

97%

Smiles

O=CC1=C(O)C=C(C)C=C1Br

Chemical Information

Benzaldehyde, 2-bromo-6-hydroxy-4-methyl-

CAS Number	139976-21-9
PubChem CID	11816736
IUPAC Name	2-bromo-6-hydroxy-4-methylbenzaldehyde
Molecular Formula	C8H7BrO2
Molecular Weight	215.04
XLogP	2.6
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=CC(=C(C(=C1)Br)C=O)O

InChI

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

InChIKey

XUZWJSVIUKVGEX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 139976-21-9

CID: 11816736

Formula: C8H7BrO2

MW: 215.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.04
XLogP3	2.6
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
OR1087072-01	2-bromo-4-hydroxy-6-methylbenzaldehyde
OR1074401-01	4-Bromo-2-hydroxy-6-methylbenzaldehyde
OR1097111-01	3-Bromo-2-hydroxy-6-methylbenzaldehyde
OR87146-01	3-Bromo-6-hydroxy-2-methylbenzaldehyde
OR1099390-01	2-Bromo-3-hydroxy-6-methylbenzaldehyde
OR1099155	2-Bromo-6-hydroxy-3-methylbenzaldehyde
OR1099620	5-Bromo-2-hydroxy-4-methylbenzaldehyde
OR1085633-01	2-bromo-3-hydroxy-4-methylbenzaldehyde
OR1050739-01	2-Bromo-5-hydroxy-4-methylbenzaldehyde
OR92869	4-Bromo-2-hydroxy-5-methylbenzaldehyde

Catalog	Name
MFA64494-01	3-Bromo-6-hydroxy-2-methylbenzaldehyde
CHC39637-01	2-Chloro-6-hydroxy-4-methylbenzaldehyde
sc-482224	2-Bromo-6-fluoro-4-methylbenzaldehyde
BHA50470-01	2-Bromo-6-methylbenzaldehyde
FH70218-01	2-Hydroxy-4-methylbenzaldehyde
FH70789-01	4-Hydroxy-2-methylbenzaldehyde
sc-254169	2-Bromo-4-methylbenzaldehyde
FB34104-01	4-Bromo-2-methylbenzaldehyde
IBA17254	3-Bromo-2-hydroxy-5-methylbenzaldehyde
IBA17256	5-bromo-2-hydroxy-3-methylbenzaldehyde