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138508-99-3 | Benzoyl chloride, 4-[5-[4-(dodecyloxy)phenyl]-2-pyrimidinyl]-
CAS No: 138508-99-3 Catalog No: AG0019C1 MDL No:
Product Description
Catalog Number:
AG0019C1
Chemical Name:
Benzoyl chloride, 4-[5-[4-(dodecyloxy)phenyl]-2-pyrimidinyl]-
CAS Number:
138508-99-3
Molecular Formula:
C29H35ClN2O2
Molecular Weight:
479.0534
IUPAC Name:
4-[5-(4-dodecoxyphenyl)pyrimidin-2-yl]benzoyl chloride
InChI:
InChI=1S/C29H35ClN2O2/c1-2-3-4-5-6-7-8-9-10-11-20-34-27-18-16-23(17-19-27)26-21-31-29(32-22-26)25-14-12-24(13-15-25)28(30)33/h12-19,21-22H,2-11,20H2,1H3
InChI Key:
WSXDAILKDUMENE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1ccc(cc1)c1cnc(nc1)c1ccc(cc1)C(=O)Cl
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
478.239g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
479.061g/mol
Monoisotopic Mass:
478.239g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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