3-Chloro-2-hydroxybenzonitrile

CAT: 0127-OR400649-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR400649-01Size:1 g

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CAS Number

13073-27-3

MDL Number

MFCD09999455

Purity

=95%

Smiles

Oc1c(Cl)cccc1C#N

Chemical Information

3-Chloro-2-hydroxybenzonitrile

CAS Number	13073-27-3
PubChem CID	12468679
IUPAC Name	3-chloro-2-hydroxybenzonitrile
Molecular Formula	C7H4ClNO
Molecular Weight	153.56
XLogP	2.5
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(=C1)Cl)O)C#N

InChI

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

InChIKey

KAICFSLMBPZUME-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13073-27-3

CID: 12468679

Formula: C7H4ClNO

MW: 153.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.56
XLogP3	2.5
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
OR939696-01	2-Chloro-3-hydroxybenzonitrile
OR51727-01	3-Chloro-5-hydroxybenzonitrile
OR16169-01	2-Chloro-4-hydroxybenzonitrile
OR24196-01	5-Chloro-2-hydroxybenzonitrile
OR908131-01	4-Chloro-3-hydroxybenzonitrile
OR018202	3-Chloro-4-hydroxybenzonitrile
OR54658	3-Bromo-5-chloro-2-hydroxybenzonitrile
OR46050-01	4-Chloro-2-hydroxybenzonitrile
OR908030-01	2-Chloro-5-hydroxybenzonitrile
PC57505-01	2-Chloro-6-fluoro-3-hydroxybenzonitrile

Catalog	Name
sc-276140	3-Chloro-4-hydroxybenzonitrile
FC67752-01	2-Chloro-5-hydroxybenzonitrile
abx183165-01	2-Chloro-6-Hydroxybenzonitrile
FC70259-01	2-Chloro-4-hydroxybenzonitrile
431641-01	4-Chloro-3-hydroxybenzonitrile
425063-01	3-Chloro-5-hydroxybenzonitrile
FC67694	5-Chloro-2-hydroxybenzonitrile
431511-01	4-Chloro-2-hydroxybenzonitrile
sc-506636	3-Bromo-5-chloro-2-hydroxybenzonitrile
WGB06763-01	3-Chloro-5-ethoxy-4-hydroxybenzonitrile