5-Bromo-2-hydroxy-4-methylbenzaldehyde

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CAS Number

311318-63-5

MDL Number

MFCD01123249

Smiles

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

Chemical Information

5-Bromo-2-hydroxy-4-methyl-benzaldehyde

anti-inflammatory; structure in first source

CAS Number	311318-63-5
PubChem CID	7172113
IUPAC Name	5-bromo-2-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=C1Br)C=O)O

InChI

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

InChIKey

QEXAZOMOZUCOGO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 311318-63-5

CID: 7172113

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
OR1050739-01	2-Bromo-5-hydroxy-4-methylbenzaldehyde
OR92869	4-Bromo-2-hydroxy-5-methylbenzaldehyde
OR1092459-01	3-bromo-5-hydroxy-4-methylbenzaldehyde
OR1098881-01	3-Bromo-4-hydroxy-5-methylbenzaldehyde
OR900033-01	3-Bromo-2-hydroxy-5-methylbenzaldehyde
OR96803-01	5-Bromo-2-hydroxy-3-methylbenzaldehyde
OR1087072-01	2-bromo-4-hydroxy-6-methylbenzaldehyde
OR1085633-01	2-bromo-3-hydroxy-4-methylbenzaldehyde
OR1056784-01	2-Bromo-6-hydroxy-4-methylbenzaldehyde
OR1100467-01	3-Bromo-2-hydroxy-4-methylbenzaldehyde

Catalog	Name
IBA17254	3-Bromo-2-hydroxy-5-methylbenzaldehyde
IBA17256	5-bromo-2-hydroxy-3-methylbenzaldehyde
FH05730-01	2-Hydroxy-5-methylbenzaldehyde
ZCA51654-01	2-Hydroxy-5-methoxy-4-methylbenzaldehyde
sc-482213	5-Hydroxy-2-methylbenzaldehyde
HAA72161-01	5-Hydroxy-4-methoxy-2-methylbenzaldehyde
FH70218-01	2-Hydroxy-4-methylbenzaldehyde
FH70789-01	4-Hydroxy-2-methylbenzaldehyde
sc-495871	5-Bromo-2-methylbenzaldehyde
IFC85538-01	2-Bromo-5-chloro-4-methylbenzaldehyde