4-(Methylamino)-3-nitrophenyl phenyl ketone

HCID 96689CAS 66353-71-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-]
InChIKey
FFJICZMWZQXOLC-UHFFFAOYSA-N
Molecular formula
C14H12N2O3
Average molar mass
256.26 g/mol
Monoisotopic mass
256.08479225

Names & identifiers

Preferred name
4-(Methylamino)-3-nitrophenyl phenyl ketone
IUPAC
[4-(methylamino)-3-nitrophenyl]-phenylmethanone
English name
4-(methylamino)-3-nitrophenyl phenyl ketone
Molecular formula
C14H12N2O3
Molecular weight
256.26

Names & synonyms

66353-71-74-(Methylamino)-3-nitrophenyl phenyl ketone(4-(Methylamino)-3-nitrophenyl)(phenyl)methanone[4-(methylamino)-3-nitrophenyl]-phenylmethanone4-methylamino-3-nitro-benzophenone[4-(Methylamino)-3-nitrophenyl](phenyl)methanone4-Methylamino-3-nitrobenzophenone4-(Methylamino)-3-nitrophenyl]phenylmethanone; NSC 86482;NSC86482EINECS 266-327-8SCHEMBL11269607DTXSID60216564
Show more names
Mebendazole Impurity 3
NSC 86482NSC-86482NS00036019F15977[4-(Methylamino)-3-nitrophenyl](phenyl)methanone #Methanone, [4-(methylamino)-3-nitrophenyl]phenyl-

Database identifiers

CAS
66353-71-7
PubChem CID
96689
DTXSID
DTXSID60216564
EC Number
266-327-8
Nikkaji
J286.772I

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
74.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
19

Physicochemical properties

solubility
Dichloromethane;
form
Solid
color
Yellow

Chemistry & industry

Applications

Uses4-Methylamino-3-nitro-benzophenone is an analog of the anti-parasitic drug Mebendazole (M200500).

Upstream & downstream products

Suppliers2 total

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]

Related reactions

4 records
New reaction record

Linked notes

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4-(Methylamino)-3-nitrophenyl phenyl ketone (HCID 96689)｜Huagongshe