4-Acetyl-2-nitro-phenol

CAT: 0024-sc-336274ASize: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-336274ASize:25 g

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CAS Number

6322-56-1

Chemical Information

4-Hydroxy-3-Nitroacetophenone

CAS Number	6322-56-1
PubChem CID	138723
IUPAC Name	1-(4-hydroxy-3-nitrophenyl)ethanone
Molecular Formula	C8H7NO4
Molecular Weight	181.15
XLogP	1.5
Topological Polar Surface Area	83.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	223

SMILES

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

InChI

InChI=1S/C8H7NO4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-4,11H,1H3

InChIKey

MMNKVWGVSHRIJL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6322-56-1

CID: 138723

Formula: C8H7NO4

MW: 181.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.15
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	181.03750770
Monoisotopic Mass	181.03750770
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	223
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
sc-230581	2-Nitro-4- (trifluoromethyl) phenol
sc-356510	2-Nitro-4- (trifluoromethoxy) phenol
sc-321848	2-Nitro-4-trifluoromethylsulfanyl-phenol
sc-356510A	2-Nitro-4- (trifluoromethoxy) phenol
sc-483860	2,3-Difluoro-4-nitro-phenol
sc-348379A	4- (Morpholine-4-sulfonyl) -2-nitro-phenol
sc-348379	4- (Morpholine-4-sulfonyl) -2-nitro-phenol
sc-209052	2-Amino-5-nitro-4- (trifluoromethyl) phenol
sc-343114A	2-Nitro-4- (pyrrolidine-1-sulfonyl) -phenol
sc-343114	2-Nitro-4- (pyrrolidine-1-sulfonyl) -phenol

Catalog	Name
PC2782-01	2-Nitro-4- (trifluoromethoxy) phenol
TRC-N456210-1G	4-Nitro-2-(nitromethyl)phenol
285484-01	2-Nitro-4- (Trifluoromethyl) phenol
PC101721-01	4-Nitro-2- (trifluoromethyl) phenol
029379-01	P-Nitro Phenol (4-Nitro Phenol) 99.0%
029377-01	O-Nitro Phenol (2-Nitro Phenol) 99.0%
OR79417-01	2-Nitro-4- (tert-pentyl) phenol
QAA18375-01	2-Nitro-4-[ (trifluoromethyl) sulphonyl]phenol
PC51167-01	2-Nitro-4-[ (trifluoromethyl) thio]phenol
414842-01	2-Acetyl-4- (trifluoromethyl) phenol