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1403767-05-4 | Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 5-bromo-
CAS No: 1403767-05-4 Catalog No: AG001CAO MDL No:MFCD23703616
Product Description
Catalog Number:
AG001CAO
Chemical Name:
Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 5-bromo-
CAS Number:
1403767-05-4
Molecular Formula:
C6H4BrN3O
Molecular Weight:
214.0195
MDL Number:
MFCD23703616
IUPAC Name:
5-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
InChI:
InChI=1S/C6H4BrN3O/c7-4-1-2-10-5(4)6(11)8-3-9-10/h1-3H,(H,8,9,11)
InChI Key:
QLJWEBUUMZXTAL-UHFFFAOYSA-N
SMILES:
Brc1ccn2c1c(=O)nc[nH]2
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.954g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.022g/mol
Monoisotopic Mass:
212.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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