3-Bromo-2-hydroxy-5-methylbenzaldehyde

CAT: 0926-IBA17254Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-IBA17254Size:2.5 g

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CAS Number

33172-54-2

MDL Number

MFCD00275688

Smiles

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

Molecular Formula

C8H7BrO2

Molecular Weight

215.05 g/mol

Controlled

Chemical Information

3-Bromo-2-hydroxy-5-methylbenzaldehyde

CAS Number	33172-54-2
PubChem CID	2757015
IUPAC Name	3-bromo-2-hydroxy-5-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)O)C=O

InChI

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

InChIKey

LCZDQTSSLMAXCI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33172-54-2

CID: 2757015

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
IBA17256	5-bromo-2-hydroxy-3-methylbenzaldehyde
MFA64494-01	3-Bromo-6-hydroxy-2-methylbenzaldehyde
FH05730-01	2-Hydroxy-5-methylbenzaldehyde
PDA93853-01	3-Chloro-2-hydroxy-5-methylbenzaldehyde
FC41576-01	5-Chloro-2-hydroxy-3-methylbenzaldehyde
HAA45210-01	2-Hydroxy-3-methoxy-5-methylbenzaldehyde
FH04952-01	2-Hydroxy-3-methylbenzaldehyde
HAC66503	3-bromo-2-fluoro-5-methylbenzaldehyde
HHC68162-01	5-Bromo-2- (difluoromethoxy) -3-methylbenzaldehyde
JEA17931	2-bromo-3-methylbenzaldehyde

Catalog	Name
OR900033-01	3-Bromo-2-hydroxy-5-methylbenzaldehyde
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OR1098881-01	3-Bromo-4-hydroxy-5-methylbenzaldehyde
OR1050739-01	2-Bromo-5-hydroxy-4-methylbenzaldehyde
OR92869	4-Bromo-2-hydroxy-5-methylbenzaldehyde
OR1099620	5-Bromo-2-hydroxy-4-methylbenzaldehyde
OR1097111-01	3-Bromo-2-hydroxy-6-methylbenzaldehyde
OR87146-01	3-Bromo-6-hydroxy-2-methylbenzaldehyde
OR1085633-01	2-bromo-3-hydroxy-4-methylbenzaldehyde