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Ethyl 4-Hydrazinylbenzoate

CAT: 0572-TRC-E938768-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E938768-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14685-90-6
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CCOC(=O)c1ccc(NN)cc1
Molecular Formula
C9 H12 N2 O2
Molecular Weight
180.204
InChI
InChI=1S/C9H12N2O2/c1-2-13-9(12)7-3-5-8(11-10)6-4-7/h3-6,11H,2,10H2,1H3
Additionnal Information
IUPAC name: ethyl 4-hydrazinylbenzoate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Ethyl 4-hydrazinylbenzoate
CAS Number14685-90-6
PubChem CID792992
IUPAC Nameethyl 4-hydrazinylbenzoate
Molecular FormulaC9H12N2O2
Molecular Weight180.20
XLogP2.1
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity165
SMILES
CCOC(=O)C1=CC=C(C=C1)NN
InChI
InChI=1S/C9H12N2O2/c1-2-13-9(12)7-3-5-8(11-10)6-4-7/h3-6,11H,2,10H2,1H3
InChIKey
JYYDHGMTXHCSKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 4-hydrazinylbenzoate
CAS: 14685-90-6
CID: 792992
Formula: C9H12N2O2
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass180.089877630
Monoisotopic Mass180.089877630
Topological Polar Surface Area64.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity165
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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