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86317-81-9 | Benzaldehyde, 3-[(4-methylphenyl)azo]-
CAS No: 86317-81-9 Catalog No: AG004JER MDL No:
Product Description
Catalog Number:
AG004JER
Chemical Name:
Benzaldehyde, 3-[(4-methylphenyl)azo]-
CAS Number:
86317-81-9
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
IUPAC Name:
3-[(4-methylphenyl)diazenyl]benzaldehyde
InChI:
InChI=1S/C14H12N2O/c1-11-5-7-13(8-6-11)15-16-14-4-2-3-12(9-14)10-17/h2-10H,1H3
InChI Key:
XQHICPPKKKTNIC-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)N=Nc1ccc(cc1)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.263g/mol
Monoisotopic Mass:
224.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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