N- (2-Cyanophenyl) acetamide

CAT: 0127-OR903353-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR903353-01Size:250 mg

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CAS Number

25116-00-1

MDL Number

MFCD00222087

Purity

97%

Smiles

CC(=O)Nc1ccccc1C#N

Chemical Information

N-(2-cyanophenyl)acetamide

CAS Number	25116-00-1
PubChem CID	251992
IUPAC Name	N-(2-cyanophenyl)acetamide
Molecular Formula	C9H8N2O
Molecular Weight	160.17
XLogP	0.6
Topological Polar Surface Area	52.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	216

SMILES

CC(=O)NC1=CC=CC=C1C#N

InChI

InChI=1S/C9H8N2O/c1-7(12)11-9-5-3-2-4-8(9)6-10/h2-5H,1H3,(H,11,12)

InChIKey

RTGPZUVDPPNGNR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25116-00-1

CID: 251992

Formula: C9H8N2O

MW: 160.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.17
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	160.063662883
Monoisotopic Mass	160.063662883
Topological Polar Surface Area	52.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	216
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
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OR1092747-01	N- (2-cyanophenyl) formamide
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Catalog	Name
SEA75306-01	2- (4-Cyanophenyl) acetamide
LCC31635-01	2-Chloro-2- (4-cyanophenyl) acetamide
sc-354551A	N- (3-cyanophenyl) acetamide
sc-492725	2-chloro-N- (3-cyanophenyl) acetamide
DGC95854-01	2-Amino-N- (3-cyanophenyl) acetamide hydrochloride
QNA73246-01	2-Chloro-N-[ (4-cyanophenyl) methyl]acetamide
CWB98414-01	2-Chloro-N-[ (3-cyanophenyl) methyl]acetamide
PHA08368	2-Chloro-N- (5-chloro-2-cyanophenyl) acetamide
DCA31307-01	2-Chloro-N- (3-chloro-4-cyanophenyl) acetamide
FA145691-01	N-Allyl-n- (2-chloro-5-cyanophenyl) acetamide