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113582-13-1 | 1(2H)-Phthalazinone, 2-(2-bromoethyl)-4-methyl-
CAS No: 113582-13-1 Catalog No: AG00091W MDL No:
Product Description
Catalog Number:
AG00091W
Chemical Name:
1(2H)-Phthalazinone, 2-(2-bromoethyl)-4-methyl-
CAS Number:
113582-13-1
Molecular Formula:
C11H11BrN2O
Molecular Weight:
267.1218
IUPAC Name:
2-(2-bromoethyl)-4-methylphthalazin-1-one
InChI:
InChI=1S/C11H11BrN2O/c1-8-9-4-2-3-5-10(9)11(15)14(13-8)7-6-12/h2-5H,6-7H2,1H3
InChI Key:
DLHGRUHYYFLVCJ-UHFFFAOYSA-N
SMILES:
BrCCn1nc(C)c2c(c1=O)cccc2
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.126g/mol
Monoisotopic Mass:
266.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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