2-Chloro-5-methoxybenzonitrile

CAT: 0926-FC70696-01Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-FC70696-01Size:50 g

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CAS Number

127667-00-9

MDL Number

MFCD08061919

Smiles

COC1=CC (=C (C=C1) Cl) C#N

Molecular Formula

C8H6ClNO

Molecular Weight

167.59 g/mol

Controlled

Chemical Information

2-Chloro-5-methoxybenzonitrile

CAS Number	127667-00-9
PubChem CID	14710964
IUPAC Name	2-chloro-5-methoxybenzonitrile
Molecular Formula	C8H6ClNO
Molecular Weight	167.59
XLogP	2
Topological Polar Surface Area	33
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	174

SMILES

COC1=CC(=C(C=C1)Cl)C#N

InChI

InChI=1S/C8H6ClNO/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4H,1H3

InChIKey

XRFLIOTUXVHNIB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 127667-00-9

CID: 14710964

Formula: C8H6ClNO

MW: 167.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.59
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	167.0137915
Monoisotopic Mass	167.0137915
Topological Polar Surface Area	33 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	174
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
AEB71812-01	3-Chloro-2-methoxybenzonitrile
FAA48588	3-Chloro-4-hydroxy-5-methoxybenzonitrile
FI70394-01	5-Iodo-2-methoxybenzonitrile
VMA40791-01	5- (Bromomethyl) -2-methoxybenzonitrile
FHA52690-01	5-Hydroxy-2-methoxybenzonitrile
WAA96250-01	5-Formyl-2-methoxybenzonitrile
UGA04513-01	5- (Aminomethyl) -2-methoxybenzonitrile
FF69980-01	5-Fluoro-2-methoxybenzonitrile
FF64148-01	2-Fluoro-5-methoxybenzonitrile
FA116318-01	5-Amino-2-methoxybenzonitrile

Catalog	Name
sc-278148	5-Chloro-2-methoxybenzonitrile
OR301005-01	2-Chloro-5-methoxybenzonitrile
PC51526-01	2-Chloro-5-fluoro-3-methoxybenzonitrile
OR401002-01	3-Chloro-5-methoxybenzonitrile
435678-01	5-Bromo-4-chloro-2-methoxybenzonitrile
PC57538-01	3-Chloro-5-fluoro-2-methoxybenzonitrile
HY-Z1086-01	4-Chloro-2-methoxybenzonitrile
MBS6097604-01	2-Chloro-6-methoxybenzonitrile
OR400666-01	3-Chloro-2-methoxybenzonitrile
OR510010-01	2-Chloro-3-methoxybenzonitrile