3,6-Dichloro-2-hydroxybenzaldehyde

CAT: 0926-CBA16409-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-CBA16409-01Size:250 mg

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CAS Number

27164-09-6

MDL Number

MFCD01666394

Smiles

C1=CC (=C (C (=C1Cl) C=O) O) Cl

Molecular Formula

C7H4Cl2O2

Molecular Weight

191.01 g/mol

Controlled

Chemical Information

Benzaldehyde, 3,6-dichloro-2-hydroxy-

CAS Number	27164-09-6
PubChem CID	147153
IUPAC Name	3,6-dichloro-2-hydroxybenzaldehyde
Molecular Formula	C7H4Cl2O2
Molecular Weight	191.01
XLogP	3.2
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	151

SMILES

C1=CC(=C(C(=C1Cl)C=O)O)Cl

InChI

InChI=1S/C7H4Cl2O2/c8-5-1-2-6(9)7(11)4(5)3-10/h1-3,11H

InChIKey

JQZDVFAQNRLCDC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27164-09-6

CID: 147153

Formula: C7H4Cl2O2

MW: 191.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	191.01
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	189.9588348
Monoisotopic Mass	189.9588348
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	151
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
GCA96214-01	2,6-Dichloro-3-hydroxybenzaldehyde
FD69855	2,6-Dichloro-4-hydroxybenzaldehyde
FD71773-01	2,4-Dichloro-6-hydroxybenzaldehyde
YAA60261-01	3,4-Dichloro-2-hydroxybenzaldehyde
FD70957-01	3,5-Dichloro-4-hydroxybenzaldehyde
CHC38215-01	2-Bromo-3-fluoro-6-hydroxybenzaldehyde
KXB11208-01	3-Chloro-6-fluoro-2-hydroxybenzaldehyde
AGB33413-01	3-Chloro-2-fluoro-6-hydroxybenzaldehyde
CHC37368-01	3-Bromo-2-chloro-6-hydroxybenzaldehyde
FB11104-01	2-Bromo-6-hydroxybenzaldehyde

Catalog	Name
OR1057700-01	3,6-Dichloro-2-hydroxybenzaldehyde
OR1040287-01	2,6-Dichloro-3-hydroxybenzaldehyde
OR924028	2,3-Dichloro-6-hydroxybenzaldehyde
sc-275474	2,6-Dichloro-4-hydroxybenzaldehyde
TRC-D434925-1G	2,3-Dichloro-5-hydroxybenzaldehyde
OR1097628	3,4-Dichloro-2-hydroxybenzaldehyde
274126-01	2,3-Dichloro-4-Hydroxybenzaldehyde
OR920426-01	2,4-Dichloro-3-hydroxybenzaldehyde
OR0351-01	3,5-Dichloro-2-hydroxybenzaldehyde
OR23557	3,5-Dichloro-2-hydroxybenzaldehyde oxime