2'-Cyanoacetophenone

CAT: 0926-FC66501-04Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FC66501-04Size:25 g

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CAS Number

91054-33-0

Synonyms

2-Acetylbenzonitrile

MDL Number

MFCD00272571

Smiles

CC (=O) C1=CC=CC=C1C#N

Molecular Formula

C9H7NO

Molecular Weight

145.16 g/mol

Controlled

Chemical Information

2-Acetylbenzonitrile

CAS Number	91054-33-0
PubChem CID	2763539
IUPAC Name	2-acetylbenzonitrile
Molecular Formula	C9H7NO
Molecular Weight	145.16
XLogP	1.2
Topological Polar Surface Area	40.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	201

SMILES

CC(=O)C1=CC=CC=C1C#N

InChI

InChI=1S/C9H7NO/c1-7(11)9-5-3-2-4-8(9)6-10/h2-5H,1H3

InChIKey

UZSGWJQJDLCCFN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 91054-33-0

CID: 2763539

Formula: C9H7NO

MW: 145.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	145.16
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	145.052763847
Monoisotopic Mass	145.052763847
Topological Polar Surface Area	40.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	201
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
AAA40737	2,2,2-Trifluoro-N- (2,2,2-trifluoroethyl) acetamide
WYB72229-01	2,2,2-Trifluoroethyl N- (2,2,2-trifluoroethyl) carbamate
FB15824-01	2,2-Bis (hydroxymethyl) -2,2',2''-nitrilotriethanol
IXB41367-01	(2,2-Dimethylpropyl) (2,2,2-trifluoroethyl) amine
KJD25151-01	2-Ethynylbicyclo[2.2.2]octane
HCA63104-01	2- (2,2,2-Trifluoroethyl) aniline
IGA88442-01	2- (2,2,2-Trifluoroethyl) benzaldehyde
AAC81537-01	2- (2,2,2-Trifluoroethoxy) propanenitrile
FT34264-01	2,2,2-Tribromoethanol
FT05419-01	2,2', 2'' -Terpyridine

Catalog	Name
230272-01	2-Cyanoacetophenone 98+%
sc-225215	2-Bromo-4'-cyanoacetophenone
TRC-C987505-1G	p-Cyanoacetophenone
OR345590	2-Bromo-4-cyanoacetophenone
454071-01	M-Cyanoacetophenone
229992-01	2-Bromo-4'-cyanoacetophenone ≥97%
MBS6026914-01	p-Cyanoacetophenone-d4
C28030-01	M-Cyanoacetophenone 95%
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
H 038-001	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt