4-methoxy-2-nitro-N-phenyl-aniline 5442-46-6 CAS NO.5442-46-6

Min.Order: 1 Kilogram
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Product Details

Keywords

4-methoxy-2-nitro-N-phenyl-aniline
5442-46-6
98%

Quick Details

ProName: 4-methoxy-2-nitro-N-phenyl-aniline 54...
CasNo: 5442-46-6
Molecular Formula: C13H12N2O3
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: According to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Kilogram
Heavy metal: N/A
Grade: Industrial Grade

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Details

【Name】
4-methoxy-2-nitro-N-phenylaniline
【CAS Registry number】
5442-46-6
【Synonyms】
benzenamine, 4-methoxy-2-nitro-N-phenyl-
【Molecular Formula】
C13H12N2O3 (Products with the same molecular formula)
【Molecular Weight】
244.246
【Inchi】
InChI=1/C13H12N2O3/c1-18-11-7-8-12(13(9-11)15(16)17)14-10-5-3-2-4-6-10/h2-9,14H,1H3
【Canonical SMILES】
COC1=CC(=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-]
【MOL File】
5442-46-6.mol
Chemical and Physical Properties
【Density】
1.276g/cm3
【Boiling Point】
397°C at 760 mmHg
【Refractive Index】
1.639
【Flash Point】
193.9°C
【Computed Properties】
Molecular Weight:244.24598 [g/mol]
Molecular Formula:C13H12N2O3
XLogP3:3.6
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:3
Exact Mass:244.084792
MonoIsotopic Mass:244.084792
Topological Polar Surface Area:67.1
Heavy Atom Count:18
Formal Charge:0
Complexity:274
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
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:9

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