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155289-19-3 | 1(2H)-Phthalazinone, 2-(4-bromobutyl)-
CAS No: 155289-19-3 Catalog No: AG001NT0 MDL No:
Product Description
Catalog Number:
AG001NT0
Chemical Name:
1(2H)-Phthalazinone, 2-(4-bromobutyl)-
CAS Number:
155289-19-3
Molecular Formula:
C12H13BrN2O
Molecular Weight:
281.1484
IUPAC Name:
2-(4-bromobutyl)phthalazin-1-one
InChI:
InChI=1S/C12H13BrN2O/c13-7-3-4-8-15-12(16)11-6-2-1-5-10(11)9-14-15/h1-2,5-6,9H,3-4,7-8H2
InChI Key:
WGDFNMLNZJEMSJ-UHFFFAOYSA-N
SMILES:
BrCCCCn1ncc2c(c1=O)cccc2
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.153g/mol
Monoisotopic Mass:
280.021g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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