2-[2- (Hydroxymethyl) phenoxy]benzenecarbonitrile

CAT: 0926-JCA16765-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-JCA16765-01Size:50 mg

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CAS Number

59167-65-6

MDL Number

MFCD03844844

Smiles

N#CC1=CC=CC=C1OC2=CC=CC=C2CO

Molecular Formula

C14H11NO2

Molecular Weight

225.24 g/mol

Controlled

Chemical Information

2-[2-(Hydroxymethyl)phenoxy]benzonitrile

CAS Number	59167-65-6
PubChem CID	2763338
IUPAC Name	2-[2-(hydroxymethyl)phenoxy]benzonitrile
Molecular Formula	C14H11NO2
Molecular Weight	225.24
XLogP	2.3
Topological Polar Surface Area	53.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	283

SMILES

C1=CC=C(C(=C1)CO)OC2=CC=CC=C2C#N

InChI

InChI=1S/C14H11NO2/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-8,16H,10H2

InChIKey

UTBJBTJQWREABX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59167-65-6

CID: 2763338

Formula: C14H11NO2

MW: 225.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.24
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	225.078978594
Monoisotopic Mass	225.078978594
Topological Polar Surface Area	53.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	283
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
WMB38710	6-fluoro-2- (3- (trifluoromethyl) phenoxy) benzenecarbonitrile
ZFB19526-01	2-[3- (Hydroxymethyl) phenoxy]acetamide
YEA22638-01	2-[4- (Hydroxymethyl) phenoxy]acetonitrile
ZFA49236-01	2-[3- (Hydroxymethyl) phenoxy]propanoic acid
NCA98719-01	4-[3- (Hydroxymethyl) phenoxy]phenol
NBA79192-01	4- (2-Oxiranylmethoxy) benzenecarbonitrile
CKC44739-01	Ethyl 2-[2,6-difluoro-4- (hydroxymethyl) phenoxy]propanoate
MKA43336	6-fluoro-2- (2-pyridylthio) benzenecarbonitrile
NKB96763	4- (3- (Hydroxymethyl) phenoxy) benzonitrile
AFA43956-01	4-[4- (Hydroxymethyl) phenoxy]butanenitrile

Catalog	Name
sc-306110A	2-[2- (Hydroxymethyl) phenoxy]benzenecarbonitrile
OR32134-01	2-[2- (Hydroxymethyl) phenoxy]benzonitrile
OR1058471-01	2- (2- (Hydroxymethyl) phenoxy) acetic acid
OR110484	2-[4- (Hydroxymethyl) phenoxy]nicotinonitrile
sc-320829	2- (4-Hydroxymethyl-phenoxy) -propionic acid
AR-B01355-01	2-[4-Bromo-3- (hydroxymethyl) phenoxy]-benzonitrile
6386-63-6	[4-chloro-2- (hydroxymethyl) phenoxy]acetic acid
AR-B01357-01	4-[4-Bromo-2- (hydroxymethyl) phenoxy]-benzonitrile
OR1069477	2- (4-Bromo-3- (hydroxymethyl) phenoxy) benzonitrile
434353	5- (3- (Hydroxymethyl) phenoxy) pyrimidin-2 (1H) -one