Home Halogens 3-(2-chloropyridin-3-yl)propanoic acid

3-(2-chloropyridin-3-yl)propanoic acid

CAS No.:
1256822-91-9
Catalog Number:
AG01B5KE
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
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Product Description
Catalog Number:
AG01B5KE
Chemical Name:
3-(2-chloropyridin-3-yl)propanoic acid
CAS Number:
1256822-91-9
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD18255093
IUPAC Name:
3-(2-chloropyridin-3-yl)propanoic acid
InChI:
InChI=1S/C8H8ClNO2/c9-8-6(2-1-5-10-8)3-4-7(11)12/h1-2,5H,3-4H2,(H,11,12)
InChI Key:
FXKNTJOROSPHDO-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cccnc1Cl
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.024g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties