Home Halogens 5-Pyrimidineacetic acid, 4,6-dichloro

5-Pyrimidineacetic acid, 4,6-dichloro

CAS No.:
933702-89-7
Catalog Number:
AG00GT1E
Molecular Formula:
C6H4Cl2N2O2
Molecular Weight:
207.0142
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Product Description
Catalog Number:
AG00GT1E
Chemical Name:
5-Pyrimidineacetic acid, 4,6-dichloro
CAS Number:
933702-89-7
Molecular Formula:
C6H4Cl2N2O2
Molecular Weight:
207.0142
MDL Number:
MFCD09924900
IUPAC Name:
2-(4,6-dichloropyrimidin-5-yl)acetic acid
InChI:
InChI=1S/C6H4Cl2N2O2/c7-5-3(1-4(11)12)6(8)10-2-9-5/h2H,1H2,(H,11,12)
InChI Key:
KHWWRGPXYMGOJW-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(Cl)ncnc1Cl
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.965g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.01g/mol
Monoisotopic Mass:
205.965g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties