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88093-99-6 | 3(2H)-Pyridazinone, 5-[(4-bromophenyl)methoxy]-4-chloro-2-ethyl-
CAS No: 88093-99-6 Catalog No: AG004J5G MDL No:
Product Description
Catalog Number:
AG004J5G
Chemical Name:
3(2H)-Pyridazinone, 5-[(4-bromophenyl)methoxy]-4-chloro-2-ethyl-
CAS Number:
88093-99-6
Molecular Formula:
C13H12BrClN2O2
Molecular Weight:
343.6036
IUPAC Name:
5-[(4-bromophenyl)methoxy]-4-chloro-2-ethylpyridazin-3-one
InChI:
InChI=1S/C13H12BrClN2O2/c1-2-17-13(18)12(15)11(7-16-17)19-8-9-3-5-10(14)6-4-9/h3-7H,2,8H2,1H3
InChI Key:
RRLCQJAPSYYLMO-UHFFFAOYSA-N
SMILES:
CCn1ncc(c(c1=O)Cl)OCc1ccc(cc1)Br
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.977g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.605g/mol
Monoisotopic Mass:
341.977g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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