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94736-64-8 | Benzaldehyde, 3-bromo-2-hydroxy-5-nonyl-, oxime
CAS No: 94736-64-8 Catalog No: AG005VPS MDL No:
Product Description
Catalog Number:
AG005VPS
Chemical Name:
Benzaldehyde, 3-bromo-2-hydroxy-5-nonyl-, oxime
CAS Number:
94736-64-8
Molecular Formula:
C16H24BrNO2
Molecular Weight:
342.2713
IUPAC Name:
2-bromo-6-(hydroxyiminomethyl)-4-nonylphenol
InChI:
InChI=1S/C16H24BrNO2/c1-2-3-4-5-6-7-8-9-13-10-14(12-18-20)16(19)15(17)11-13/h10-12,19-20H,2-9H2,1H3
InChI Key:
YRGOISVSVOFWAG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1cc(Br)c(c(c1)C=NO)O
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.277g/mol
Monoisotopic Mass:
341.099g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.6
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