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Home > Bromides > 1201784-90-8
1201784-90-8 | Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione, 6-bromo-
CAS No: 1201784-90-8 Catalog No: AG000QHS MDL No:MFCD12911738
Product Description
Catalog Number:
AG000QHS
Chemical Name:
Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione, 6-bromo-
CAS Number:
1201784-90-8
Molecular Formula:
C6H4BrN3O2
Molecular Weight:
230.0189
MDL Number:
MFCD12911738
IUPAC Name:
6-bromo-1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione
InChI:
InChI=1S/C6H4BrN3O2/c7-3-1-4-5(11)8-6(12)9-10(4)2-3/h1-2H,(H2,8,9,11,12)
InChI Key:
NETCQPWEMRFZLK-UHFFFAOYSA-N
SMILES:
Brc1cn2c(c1)c(=O)[nH]c(=O)[nH]2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.949g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.021g/mol
Monoisotopic Mass:
228.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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