3-Iodo-4-Hydroxybenzaldehyde

CAT: 0127-OR1011016-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1011016-01Size:100 mg

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CAS Number

60032-63-5

MDL Number

MFCD00002496

Purity

98%

Smiles

Oc1ccc(C=O)cc1I

Chemical Information

4-Hydroxy-3-iodobenzaldehyde

CAS Number	60032-63-5
PubChem CID	968881
IUPAC Name	4-hydroxy-3-iodobenzaldehyde
Molecular Formula	C7H5IO2
Molecular Weight	248.02
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=C1C=O)I)O

InChI

InChI=1S/C7H5IO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H

InChIKey

KNQVIRRXVOTGGT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60032-63-5

CID: 968881

Formula: C7H5IO2

MW: 248.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.02
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	247.93343
Monoisotopic Mass	247.93343
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
OR1080211-01	3-Ethyl-4-hydroxybenzaldehyde
OR1103129-01	3-Allyl-4-hydroxybenzaldehyde
OR1095158-01	4- (Cyclopropylmethoxy) -3-hydroxybenzaldehyde
PC9083-01	3-Fluoro-4-hydroxybenzaldehyde
OR43692	4-Ethoxy-3-hydroxybenzaldehyde
OR1184-01	3-Bromo-4-hydroxybenzaldehyde
OR1092704	4-ethyl-3-hydroxybenzaldehyde
OR74284-01	4- (Benzyloxy) -3-hydroxybenzaldehyde
OR4357-01	3-Chloro-4-hydroxybenzaldehyde
PC911011-01	3- (Difluoromethoxy) -4-hydroxybenzaldehyde

Catalog	Name
TRC-I707250-1G	3-Iodo-4-hydroxybenzaldehyde
I8447-39	3-Iodo-4-hydroxybenzaldehyde (4-Hydro-3-iodo-benzaldehyde)
FE34406-01	3-Ethoxy-4-hydroxybenzaldehyde
FC55022-01	3-Chloro-4-hydroxybenzaldehyde
003732	4-Benzyloxy-3-hydroxybenzaldehyde
263639-01	3-Bromo-4-hydroxybenzaldehyde
TRC-D446005-1G	4-(Difluoromethoxy)-3-hydroxybenzaldehyde
TRC-B286420-10G	3-Benzyloxy-4-hydroxybenzaldehyde
sc-260942	3-Fluoro-4-hydroxybenzaldehyde
sc-277341	4-Difluoromethoxy-3-hydroxybenzaldehyde