2- (Cyclopropylmethoxy) benzonitrile

CAT: 0127-OR27671Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR27671Size:1 Each

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

83728-40-9

MDL Number

MFCD01314164

Smiles

N#Cc1ccccc1OCC2CC2

Chemical Information

2-(Cyclopropylmethoxy)benzonitrile

CAS Number	83728-40-9
PubChem CID	2794893
IUPAC Name	2-(cyclopropylmethoxy)benzonitrile
Molecular Formula	C11H11NO
Molecular Weight	173.21
XLogP	2.7
Topological Polar Surface Area	33
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	213

SMILES

C1CC1COC2=CC=CC=C2C#N

InChI

InChI=1S/C11H11NO/c12-7-10-3-1-2-4-11(10)13-8-9-5-6-9/h1-4,9H,5-6,8H2

InChIKey

CHNJGSSTVQFKLP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 83728-40-9

CID: 2794893

Formula: C11H11NO

MW: 173.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	173.21
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	173.084063974
Monoisotopic Mass	173.084063974
Topological Polar Surface Area	33 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	213
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
OR900345-01	4- (Cyclopropylmethoxy) benzonitrile
OR1099134-01	3-Bromo-4- (cyclopropylmethoxy) benzonitrile
OR91788-01	2- (Cyclopropylmethoxy) isonicotinonitrile
OR1094824	2- (cyclopropylmethoxy) nicotinaldehyde
OR1085551-01	2- (Cyclopropylmethoxy) -α, α-dimethylbenzenemethanol
OR957555	2- (Cyclopropylmethoxy) phenol
OR1092770-01	2- (Cyclopropylmethoxy) benzaldehyde
OR1094621-01	2- (cyclopropylmethoxy) -4-methylbenzaldehyde
OR1094620	2- (cyclopropylmethoxy) -5-isopropylbenzaldehyde
PC1010180-01	3- (cyclopropylmethoxy) -2-fluorobenzaldehyde

Catalog	Name
IDA72840-01	2- (Cyclopropylmethoxy) benzonitrile
RMC80408-01	4-Acetyl-3- (cyclopropylmethoxy) benzonitrile
sc-397329	Benzonitrile
PGA52099	4- (Cyclopropylmethoxy) benzaldehyde
NCA65924-01	4- (Cyclopropylmethoxy) phenol
HMB70241-01	3- (Cyclopropylmethoxy) pyrrolidine
UQB56808	2- (Cyclopropylmethoxy) isonicotinonitrile
C8905-05	N-Cyclopropylmethoxy-phthalimide
PDA52317-01	2- (Cyclopropylmethoxy) aniline
270503-01	4- (Cyclopropylmethoxy) piperidine