2-Chloro-4-hydroxybenzonitrile

CAT: 0127-OR16169-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR16169-01Size:1 g

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CAS Number

3336-16-1

Synonyms

3-Chloro-4-cyanophenol

MDL Number

MFCD00052185

Purity

98%

Smiles

Oc1ccc(C#N)c(Cl)c1

Chemical Information

2-Chloro-4-hydroxybenzonitrile

CAS Number	3336-16-1
PubChem CID	592797
IUPAC Name	2-chloro-4-hydroxybenzonitrile
Molecular Formula	C7H4ClNO
Molecular Weight	153.56
XLogP	2.4
Topological Polar Surface Area	44
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	162

SMILES

C1=CC(=C(C=C1O)Cl)C#N

InChI

InChI=1S/C7H4ClNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H

InChIKey

BDDVAWDNVWLHDQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3336-16-1

CID: 592797

Formula: C7H4ClNO

MW: 153.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.56
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	152.9981414
Monoisotopic Mass	152.9981414
Topological Polar Surface Area	44 Å²
Heavy Atom Count	10
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
OR46050-01	4-Chloro-2-hydroxybenzonitrile
OR908131-01	4-Chloro-3-hydroxybenzonitrile
OR018202	3-Chloro-4-hydroxybenzonitrile
PC1023780-01	4-chloro-2-fluoro-5-hydroxybenzonitrile
OR24196-01	5-Chloro-2-hydroxybenzonitrile
OR908030-01	2-Chloro-5-hydroxybenzonitrile
OR480219	2-Chloro-6-hydroxybenzonitrile
OR400649-01	3-Chloro-2-hydroxybenzonitrile
OR939696-01	2-Chloro-3-hydroxybenzonitrile
OR1097155	3-Bromo-5-chloro-4-hydroxybenzonitrile

Catalog	Name
FC70259-01	2-Chloro-4-hydroxybenzonitrile
431511-01	4-Chloro-2-hydroxybenzonitrile
sc-276140	3-Chloro-4-hydroxybenzonitrile
431641-01	4-Chloro-3-hydroxybenzonitrile
FC67752-01	2-Chloro-5-hydroxybenzonitrile
abx183165-01	2-Chloro-6-Hydroxybenzonitrile
FC67694	5-Chloro-2-hydroxybenzonitrile
WGB06763-01	3-Chloro-5-ethoxy-4-hydroxybenzonitrile
BAA68986-01	3-Bromo-5-chloro-4-hydroxybenzonitrile
430790-01	4-Bromo-2-hydroxybenzonitrile