Home Halogens 4-chloro-5,6,7,8-tetrahydropteridin-6-one

4-chloro-5,6,7,8-tetrahydropteridin-6-one

CAS No.:
857225-57-1
Catalog Number:
AG01B501
Molecular Formula:
C6H5ClN4O
Molecular Weight:
184.5831
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Product Description
Catalog Number:
AG01B501
Chemical Name:
4-chloro-5,6,7,8-tetrahydropteridin-6-one
CAS Number:
857225-57-1
Molecular Formula:
C6H5ClN4O
Molecular Weight:
184.5831
MDL Number:
MFCD20670176
IUPAC Name:
4-chloro-7,8-dihydro-5H-pteridin-6-one
InChI:
InChI=1S/C6H5ClN4O/c7-5-4-6(10-2-9-5)8-1-3(12)11-4/h2H,1H2,(H,11,12)(H,8,9,10)
InChI Key:
OVLVTUVCSHLNGY-UHFFFAOYSA-N
SMILES:
O=C1CNc2c(N1)c(Cl)ncn2
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
184.583g/mol
Monoisotopic Mass:
184.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties