Home Halogens methyl 2-chloro-2-(pyridin-3-yl)acetate hydrochloride

methyl 2-chloro-2-(pyridin-3-yl)acetate hydrochloride

CAS No.:
1423034-81-4
Catalog Number:
AG01A1FR
Molecular Formula:
C8H9Cl2NO2
Molecular Weight:
222.0686
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Product Description
Catalog Number:
AG01A1FR
Chemical Name:
methyl 2-chloro-2-(pyridin-3-yl)acetate hydrochloride
CAS Number:
1423034-81-4
Molecular Formula:
C8H9Cl2NO2
Molecular Weight:
222.0686
MDL Number:
MFCD22421825
IUPAC Name:
methyl 2-chloro-2-pyridin-3-ylacetate;hydrochloride
InChI:
InChI=1S/C8H8ClNO2.ClH/c1-12-8(11)7(9)6-3-2-4-10-5-6;/h2-5,7H,1H3;1H
InChI Key:
BCTSHRLIZNBSSP-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1cccnc1)Cl.Cl
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.001g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.065g/mol
Monoisotopic Mass:
221.001g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties