N- (4-Nitrophenyl) acrylamide

CAT: 0127-OR1057947-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1057947-01Size:100 mg

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CAS Number

7766-38-3

MDL Number

MFCD12091233

Purity

97%

Smiles

C=CC(NC1=CC=C([N+]([O-])=O)C=C1)=O

Chemical Information

N-(4-nitrophenyl)acrylamide

CAS Number	7766-38-3
PubChem CID	82198
IUPAC Name	N-(4-nitrophenyl)prop-2-enamide
Molecular Formula	C9H8N2O3
Molecular Weight	192.17
XLogP	2.3
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	239

SMILES

C=CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H8N2O3/c1-2-9(12)10-7-3-5-8(6-4-7)11(13)14/h2-6H,1H2,(H,10,12)

InChIKey

DFKKBOJXPCXEGX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7766-38-3

CID: 82198

Formula: C9H8N2O3

MW: 192.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.17
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	192.05349212
Monoisotopic Mass	192.05349212
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	239
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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OR1062881-01	N- (4-Acetylphenyl) acrylamide
OR1066574-01	N- (4-Chlorophenyl) acrylamide
OR1065544-01	N- (4-Hydroxybutyl) acrylamide
OR1027401-01	N- (4-hydroxyphenyl) acrylamide
OR21823	N1- (4-chlorophenyl) -3- (2-chloro-5-nitrophenyl) acrylamide
OR1029087-01	N- (Isobutoxymethyl) Acrylamide
OR1014027-01	N- (Butoxymethyl) Acrylamide

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