Home Halogens 3-(7-chloroquinolin-2-yl)prop-2-enoic acid

3-(7-chloroquinolin-2-yl)prop-2-enoic acid

CAS No.:
59394-19-3
Catalog Number:
AG019LAE
Molecular Formula:
C12H8ClNO2
Molecular Weight:
233.6504
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Product Description
Catalog Number:
AG019LAE
Chemical Name:
3-(7-chloroquinolin-2-yl)prop-2-enoic acid
CAS Number:
59394-19-3
Molecular Formula:
C12H8ClNO2
Molecular Weight:
233.6504
MDL Number:
MFCD09042628
IUPAC Name:
3-(7-chloroquinolin-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C12H8ClNO2/c13-9-3-1-8-2-4-10(5-6-12(15)16)14-11(8)7-9/h1-7H,(H,15,16)
InChI Key:
DTGDXORPULFIOX-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccc2c(n1)cc(cc2)Cl
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.024g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.651g/mol
Monoisotopic Mass:
233.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.8  
Properties