Home Other Building Blocks 2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

CAS No.:
4315-66-6
Catalog Number:
AG01ACB8
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01ACB8
Chemical Name:
2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
CAS Number:
4315-66-6
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD18324854
IUPAC Name:
2-phenyl-1,2,4-triazine-3,5-dione
InChI:
InChI=1S/C9H7N3O2/c13-8-6-10-12(9(14)11-8)7-4-2-1-3-5-7/h1-6H,(H,11,13,14)
InChI Key:
XGPCOQNUQVZURR-UHFFFAOYSA-N
SMILES:
O=c1cnn(c(=O)[nH]1)c1ccccc1
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties