ethyl (2Z)-2-cyano-3-(2-nitrophenyl)prop-2-enoate(CAS No. 5470-58-6) CAS NO.5470-58-6

Min.Order Quantity:: 1 Kilogram

Purity:: 99%

Port:: SHANGHAI

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Product Details

Keywords

Ethyl (Z)-2-cyano-3-(2-nitrophenyl)prop-2-enoate
5470-58-6
98%

Quick Details

ProName: ethyl (2Z)-2-cyano-3-(2-nitrophenyl)pr...
CasNo: 5470-58-6
Molecular Formula: C12H10N2O4
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 temp
Transportation: as requested
LimitNum: 1 Kilogram

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Details

【name】
ethyl (2z)-2-cyano-3-(2-nitrophenyl)prop-2-enoate
【iupac name】
ethyl (z)-2-cyano-3-(2-nitrophenyl)prop-2-enoate
【cas registry number】
5470-58-6
【synonyms】
2-cyano-3-(2-nitro-phenyl)-acrylic acid ethyl ester
2-propenoic acid, 2-cyano-3-(2-nitrophenyl)-, ethyl ester, (2z)-
ethyl (2z)-2-cyano-3-(2-nitrophenyl)-2-propenoate
ethyl (2z)-2-cyano-3-(2-nitrophenyl)acrylate
ethyl 2-cyano-3-(2-nitrophenyl)acrylate
【molecular formula】
c12h10n2o4 (products with the same molecular formula)
【molecular weight】
246.2188
【inchi】
inchi=1/c12h10n2o4/c1-2-18-12(15)10(8-13)7-9-5-3-4-6-11(9)14(16)17/h3-7h,2h2,1h3/b10-7-
【canonical smiles】
ccoc(=o)c(=cc1=cc=cc=c1[n+](=o)[o-])c#n
【isomers smiles】
ccoc(=o)/c(=c\c1=cc=cc=c1[n+](=o)[o-])/c#n
【mol file】
5470-58-6.mol
chemical and physical properties
【density】
1.306g/cm3
【boiling point】
414.9°c at 760 mmhg
【refractive index】
1.596
【flash point】
204.7°c
【computed properties】
molecular weight:246.2188 [g/mol]
molecular formula:c12h10n2o4
xlogp3:2
h-bond donor:0
h-bond acceptor:5
rotatable bond count:4
exact mass:246.064057
monoisotopic mass:246.064057
topological polar surface area:95.9
heavy atom count:18
formal charge:0
complexity:402
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:0
defined bond stereocenter count:1
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:4
feature 3d anion count:1
feature 3d ring count:1
effective rotor count:5
conformer sampling rmsd:0.6
cid conformer count:14