2-chloro-4-hydroxy-5-methoxybenzaldehyde

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CAS Number

18268-76-3

MDL Number

MFCD02379943

Smiles

C1 (c (cc (c (c1) C=O) Cl) O) OC

Chemical Information

2-Chloro-4-hydroxy-5-methoxybenzaldehyde

CAS Number	18268-76-3
PubChem CID	29000
IUPAC Name	2-chloro-4-hydroxy-5-methoxybenzaldehyde
Molecular Formula	C8H7ClO3
Molecular Weight	186.59
XLogP	2.1
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	162

SMILES

COC1=C(C=C(C(=C1)C=O)Cl)O

InChI

InChI=1S/C8H7ClO3/c1-12-8-2-5(4-10)6(9)3-7(8)11/h2-4,11H,1H3

InChIKey

ZOKLABLCKDZYOP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18268-76-3

CID: 29000

Formula: C8H7ClO3

MW: 186.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.59
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	186.0083718
Monoisotopic Mass	186.0083718
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	162
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
OR1094806-01	2-chloro-5-hydroxy-4-methoxybenzaldehyde
OR916737-01	3-Chloro-4-hydroxy-5-methoxybenzaldehyde
OR1040198-01	3-Chloro-5-hydroxy-4-methoxybenzaldehyde
OR918606-01	2-Chloro-6-hydroxy-4-methoxybenzaldehyde
OR315522-01	5-Chloro-2-hydroxy-3-methoxybenzaldehyde
OR1094818	3-Chloro-2-hydroxy-5-methoxybenzaldehyde
OR929791-01	2-Chloro-3-hydroxy-4-methoxybenzaldehyde
OR370019-01	2-Chloro-4-hydroxy-3-methoxybenzaldehyde
OR1085640-01	3-Chloro-4-hydroxy-2-methoxybenzaldehyde
OR950300	2-Hydroxy-5-iodo-4-methoxybenzaldehyde

Catalog	Name
TRC-C611620-50MG	2-Chloro-4-hydroxy-5-methoxybenzaldehyde
SLB82833-01	5-Chloro-4-hydroxy-2-methoxybenzaldehyde
sc-226016	3-Chloro-4-hydroxy-5-methoxybenzaldehyde
sc-233314	5-Chloro-2-hydroxy-3-methoxybenzaldehyde
QDA11033-01	3-Chloro-2-hydroxy-5-methoxybenzaldehyde
268966-01	2-Chloro-3-hydroxy-4-methoxybenzaldehyde
HDA66820-01	2-Chloro-4-hydroxy-3-methoxybenzaldehyde
DNB42766-01	2-Hydroxy-5- (2-hydroxy-4-methoxybenzyl) -4-methoxybenzaldehyde
MBS5761368	2-Hydroxy-5-(2-hydroxy-4-methoxybenzyl)-4-methoxybenzaldehyde
sc-282960	2-bromo-4-hydroxy-5-methoxybenzaldehyde