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126300-23-0 | 1(2H)-Phthalazinone, 2-(2-bromoethyl)-
CAS No: 126300-23-0 Catalog No: AG000SII MDL No:
Product Description
Catalog Number:
AG000SII
Chemical Name:
1(2H)-Phthalazinone, 2-(2-bromoethyl)-
CAS Number:
126300-23-0
Molecular Formula:
C10H9BrN2O
Molecular Weight:
253.0953
IUPAC Name:
2-(2-bromoethyl)phthalazin-1-one
InChI:
InChI=1S/C10H9BrN2O/c11-5-6-13-10(14)9-4-2-1-3-8(9)7-12-13/h1-4,7H,5-6H2
InChI Key:
PFEHEONIJBLHRI-UHFFFAOYSA-N
SMILES:
BrCCn1ncc2c(c1=O)cccc2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.99g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.099g/mol
Monoisotopic Mass:
251.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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