1- (2,3-Dichlorophenyl) cyclobutanecarbonitrile

CAT: 0926-KAC65334-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-KAC65334-01Size:250 mg

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CAS Number

1260653-34-6

MDL Number

MFCD11036690

Smiles

C1CC (C1) (C#N) C2=C (C (=CC=C2) Cl) Cl

Molecular Formula

C11H9Cl2N

Molecular Weight

226.1 g/mol

Controlled

Chemical Information

1-(2,3-Dichlorophenyl)cyclobutanecarbonitrile

CAS Number	1260653-34-6
PubChem CID	129032968
IUPAC Name	1-(2,3-dichlorophenyl)cyclobutane-1-carbonitrile
Molecular Formula	C11H9Cl2N
Molecular Weight	226.10
XLogP	3.7
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	264

SMILES

C1CC(C1)(C#N)C2=C(C(=CC=C2)Cl)Cl

InChI

InChI=1S/C11H9Cl2N/c12-9-4-1-3-8(10(9)13)11(7-14)5-2-6-11/h1,3-4H,2,5-6H2

InChIKey

MUPGUOJKERBECC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1260653-34-6

CID: 129032968

Formula: C11H9Cl2N

MW: 226.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.10
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	225.0112047
Monoisotopic Mass	225.0112047
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	264
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
DBA04959-01	1- (2-Chlorophenyl) cyclobutanecarbonitrile
ZCA20515-01	1- (3-Methoxyphenyl) cyclobutanecarbonitrile
EBA78643	1- (3- (trifluoromethyl) phenyl) cyclobutanecarbonitrile
NWB70759-01	1- (4-Bromopyridin-2-yl) cyclobutanecarbonitrile
QXB64432-01	1- (6-Chloro-2-pyridinyl) -cyclobutanecarbonitrile
KUA82881-01	1- (5-Bromopyridin-2-yl) cyclobutanecarbonitrile
BDD44121-01	1- (aminomethyl) cyclobutanecarbonitrile hcl
LHB80325-01	1- (4-Aminophenyl) cyclobutanecarbonitrile
VIB82184-01	1-Amino-cyclobutanecarbonitrile hydrochloride
FD171123-01	1- (2,3-Dichlorophenyl) piperazine

Catalog	Name
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PC1024233-01	1- (3-Fluorobenzoyl) cyclobutanecarbonitrile
OR81038	1- (2-Chlorophenyl) cyclobutanecarbonitrile
OR1097366-01	1- (3-Methylbenzoyl) cyclobutanecarbonitrile
TRC-P991330-1G	1-(2-Pyridinyl)cyclobutanecarbonitrile
OR1055424-01	1- (3,4-Dimethoxyphenyl) cyclobutanecarbonitrile