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1370007-53-6

1370007-53-6 | Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 7-bromo-

CAS No: 1370007-53-6 Catalog No: AG0012OR MDL No:MFCD27986917

Product Description

Catalog Number:
AG0012OR
Chemical Name:
Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 7-bromo-
CAS Number:
1370007-53-6
Molecular Formula:
C6H4BrN3O
Molecular Weight:
214.0195
MDL Number:
MFCD27986917
IUPAC Name:
7-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
InChI:
InChI=1S/C6H4BrN3O/c7-5-2-1-4-6(11)8-3-9-10(4)5/h1-3H,(H,8,9,11)
InChI Key:
HPBUVPGCNKEPRJ-UHFFFAOYSA-N
SMILES:
O=c1nc[nH]n2c1ccc2Br

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:
1.2  

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