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trans-beta-Nitrostyrene

CAT: 0572-TRC-N525000-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N525000-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5153-67-3
Synonyms
[(1E)-2-nitroethenyl]benzene; (2-Nitroethenyl)benzene; (E)-1-Nitro-2-phenylethene; (E)-1-Nitro-2-phenylethylene; (E)-beta-Nitrostyrene; [(1E)-2-Nitroethenyl]benzene; trans-1-Nitro-2-phenylethylene;
Hazard Statement
No Data Available
Smiles
[O-][N+](=O)\C=C\c1ccccc1
Molecular Formula
C8H7NO2
Molecular Weight
149.15
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

beta-nitrostyrene, (E)-
CAS Number5153-67-3
PubChem CID5284459
IUPAC Name[(E)-2-nitroethenyl]benzene
Molecular FormulaC8H7NO2
Molecular Weight149.15
XLogP2.1
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity154
SMILES
C1=CC=C(C=C1)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKey
PIAOLBVUVDXHHL-VOTSOKGWSA-N
Chemical Structure
2D Structure
2D structure of beta-nitrostyrene, (E)-
CAS: 5153-67-3
CID: 5284459
Formula: C8H7NO2
MW: 149.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.15
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass149.047678466
Monoisotopic Mass149.047678466
Topological Polar Surface Area45.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OR51907Trans-beta-Nitrostyrene
467961-01Trans-β-Nitrostyrene
FAA15368-01Trans-4-Methyl-beta-nitrostyrene
sc-237159Trans-2-Chloro-beta-nitrostyrene
OR1015269-01Trans-3-Chloro-beta-Nitrostyrene
OR1015283-01Trans-4-Chloro-beta-Nitrostyrene
sc-237133Trans-β-Methyl-β-nitrostyrene
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FB65968Trans-4-Benzyloxy-3-methoxy-beta-nitrostyrene
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