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88230-54-0 | Propanoyl chloride, 2-[2-bromo-5-(4-bromo-2-cyanophenoxy)phenoxy]-
CAS No: 88230-54-0 Catalog No: AG004CXJ MDL No:
Product Description
Catalog Number:
AG004CXJ
Chemical Name:
Propanoyl chloride, 2-[2-bromo-5-(4-bromo-2-cyanophenoxy)phenoxy]-
CAS Number:
88230-54-0
Molecular Formula:
C16H10Br2ClNO3
Molecular Weight:
459.5165
IUPAC Name:
2-[2-bromo-5-(4-bromo-2-cyanophenoxy)phenoxy]propanoyl chloride
InChI:
InChI=1S/C16H10Br2ClNO3/c1-9(16(19)21)22-15-7-12(3-4-13(15)18)23-14-5-2-11(17)6-10(14)8-20/h2-7,9H,1H3
InChI Key:
FLFZMKJHDIMPLK-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)ccc1Oc1ccc(c(c1)OC(C(=O)Cl)C)Br
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.87g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
459.518g/mol
Monoisotopic Mass:
456.872g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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