Propanamide,2-methyl-N-(3-nitrophenyl)- 5434-53-7 CAS NO.5434-53-7

Min.Order: 1 Gram
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Product Details

Keywords

Propanamide,2-methyl-N-(3-nitrophenyl)-
5434-53-7
98%

Quick Details

ProName: Propanamide,2-methyl-N-(3-nitrophenyl)...
CasNo: 5434-53-7
Molecular Formula: C10H12 N2 O3
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 Gram
Heavy metal: N/A
Grade: Industrial Grade

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Details

【Name】
Propanamide,2-methyl-N-(3-nitrophenyl)-
【CAS Registry number】
5434-53-7
【Synonyms】
Propionanilide,2-methyl-3'-nitro- (7CI,8CI)
N-Isobutyryl-m-nitroaniline
NSC 15664
【Molecular Formula】
C10H12 N2 O3 (Products with the same molecular formula)
【Molecular Weight】
208.2139
【Inchi】
InChI=1/C10H12N2O3/c1-7(2)10(13)11-8-4-3-5-9(6-8)12(14)15/h3-7H,1-2H3,(H,11,13)
【Canonical SMILES】
CC(C)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-]
Chemical and Physical Properties
【Density】
1.241g/cm3
【Boiling Point】
384.8°C at 760 mmHg
【Refractive Index】
1.585
【Flash Point】
186.5°C
【Computed Properties】
Molecular Weight:208.21388 [g/mol]
Molecular Formula:C10H12N2O3
XLogP3:2.5
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:2
Tautomer Count:3
Exact Mass:208.084792
MonoIsotopic Mass:208.084792
Topological Polar Surface Area:74.9
Heavy Atom Count:15
Formal Charge:0
Complexity:248
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 Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:8

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