Products for Research Use Only
RegisterLogin

5-Chloro-2-methoxybenzonitrile

CAT: 0013-GTR19251447-01Size: 200 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19251447-01Size:200 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
5-Chloro-2-methoxybenzonitrile
CAS Number
55877-79-7
Purity
99.88% (May vary between batches)
Smiles
COC1=C (C=C (Cl) C=C1) C#N
Molecular Formula
C8H6ClNO
Molecular Weight
167.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Chloro-2-methoxybenzonitrile
CAS Number55877-79-7
PubChem CID2800979
IUPAC Name5-chloro-2-methoxybenzonitrile
Molecular FormulaC8H6ClNO
Molecular Weight167.59
XLogP2.2
Topological Polar Surface Area33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity174
SMILES
COC1=C(C=C(C=C1)Cl)C#N
InChI
InChI=1S/C8H6ClNO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,1H3
InChIKey
LREABOKKLIVXNA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-2-methoxybenzonitrile
CAS: 55877-79-7
CID: 2800979
Formula: C8H6ClNO
MW: 167.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.59
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass167.0137915
Monoisotopic Mass167.0137915
Topological Polar Surface Area33 Ų
Heavy Atom Count11
Formal Charge0
Complexity174
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19281013-014-Chloro-2-methoxybenzonitrile
GTR19251177-014-Methoxybenzonitrile
GTR19245822-012-Chloro-5-thiophenecarboxaldehyde
GTR19267176-015-chloro-2-isopropoxyaniline
GTR19173104-015-Chloro-2'-deoxyuridine
GTR19251150-015-Chloro-2-fluoroaniline
GTR192509115′-Chloro-2′-hydroxyacetophenone
GTR19216748-015-Chloro-2-deoxyuridine
GTR19259207-015-Chloro-2-methylbenzoxazole
GTR19246187-012-Chloro-5-cyanopyridine

Alternative Products

CatalogName
sc-2781485-Chloro-2-methoxybenzonitrile
OR301005-012-Chloro-5-methoxybenzonitrile
PC51526-012-Chloro-5-fluoro-3-methoxybenzonitrile
OR401002-013-Chloro-5-methoxybenzonitrile
435678-015-Bromo-4-chloro-2-methoxybenzonitrile
PC57538-013-Chloro-5-fluoro-2-methoxybenzonitrile
HY-Z1086-014-Chloro-2-methoxybenzonitrile
AEB71812-013-Chloro-2-methoxybenzonitrile
MBS6097604-012-Chloro-6-methoxybenzonitrile
OR510010-012-Chloro-3-methoxybenzonitrile

Popular Products