200,000+ products from a single source!
sales@angenechem.com
4956-05-2 | 6-Bromo-1,2,4-triazine-3,5(2H,4H);-dione
CAS No: 4956-05-2 Catalog No: AG003N3H MDL No:MFCD00154757
Product Description
Catalog Number:
AG003N3H
Chemical Name:
6-Bromo-1,2,4-triazine-3,5(2H,4H);-dione
CAS Number:
4956-05-2
Molecular Formula:
C3H2BrN3O2
Molecular Weight:
191.9709
MDL Number:
MFCD00154757
IUPAC Name:
6-bromo-2H-1,2,4-triazine-3,5-dione
InChI:
InChI=1S/C3H2BrN3O2/c4-1-2(8)5-3(9)7-6-1/h(H2,5,7,8,9)
InChI Key:
VNTFEWXYAOATFA-UHFFFAOYSA-N
SMILES:
Brc1n[nH]c(=O)[nH]c1=O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.933g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.972g/mol
Monoisotopic Mass:
190.933g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.