2,4-Dichloro-6- (hydroxymethyl) phenol

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CAS Number

6641-02-7

Synonyms

3,5-Dichloro-2-hydroxybenzyl alcohol, (3,5-Dichloro-2-hydroxyphenyl) methyl alcohol

MDL Number

MFCD00087352

Smiles

OCc1cc (Cl) cc (Cl) c1O

Chemical Information

3,5-Dichlorosalicyl alcohol

CAS Number	6641-02-7
PubChem CID	241196
IUPAC Name	2,4-dichloro-6-(hydroxymethyl)phenol
Molecular Formula	C7H6Cl2O2
Molecular Weight	193.02
XLogP	2.3
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	132

SMILES

C1=C(C=C(C(=C1CO)O)Cl)Cl

InChI

InChI=1S/C7H6Cl2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2,10-11H,3H2

InChIKey

DTJNPTWSVJSFRE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6641-02-7

CID: 241196

Formula: C7H6Cl2O2

MW: 193.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.02
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	191.9744848
Monoisotopic Mass	191.9744848
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	132
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
OR111469-01	2,6-Dichloro-4- (hydroxymethyl) phenol
OR310627-01	3,5-Dichloro-4- (hydroxymethyl) phenol
OR47849	2,6-Dichloro-4- (hydroxymethyl) benzaldehyde
OR0150-01	2,6-Dichloro-4- (hydroxymethyl) pyridine
BUP02035-01	2,6-Dibromo-4- (hydroxymethyl) phenol
OR1087698-01	2,4-Dibromo-6- (hydroxymethyl) phenol
OR2358	2,6-Dichloro-4- (methylsulphonyl) phenol
OR1087410	2,6-Dichloro-4- (hydroxymethyl) phenylboronic acid
OR1034843-01	2,6-Dichloro-4- (hydroxymethyl) benzoic acid
PC1014650-01	2-Fluoro-4- (hydroxymethyl) -6- (trifluoromethyl) phenol

Catalog	Name
GTR19259256-01	2,4-Dichloro-6- (hydroxymethyl) phenol
MRA31890-01	4,5-Dichloro-2- (hydroxymethyl) phenol
MBS5801493	2,6-Dibromo-4-(hydroxymethyl)phenol
M29517-01	2,6-Dibromo-4- (hydroxymethyl) phenol
AL BD 1185-01	2,4,6-tris (hydroxymethyl) phenol
sc-277388	4-Fluoro-2,6-bis-hydroxymethyl-phenol
431571-01	4-Chloro-2,6-bis (hydroxymethyl) phenol
430909-01	4-Bromo-2,6-bis-hydroxymethyl-phenol
C433160	4-Chloro-2,6-bis(hydroxymethyl)phenol
TCA65811-01	2-Ethyl-6- (hydroxymethyl) phenol