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19064-73-4 | 1(2H)-Phthalazinone, 4-bromo-
CAS No: 19064-73-4 Catalog No: AG002EOR MDL No:MFCD11101043
Product Description
Catalog Number:
AG002EOR
Chemical Name:
1(2H)-Phthalazinone, 4-bromo-
CAS Number:
19064-73-4
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
MDL Number:
MFCD11101043
IUPAC Name:
4-bromo-2H-phthalazin-1-one
InChI:
InChI=1S/C8H5BrN2O/c9-7-5-3-1-2-4-6(5)8(12)11-10-7/h1-4H,(H,11,12)
InChI Key:
DHXVJJHOVGTNDK-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(c2c1cccc2)Br
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.959g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.045g/mol
Monoisotopic Mass:
223.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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