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85136-31-8 | 4-[(DIMETHYLPHENYL)AZO]-1-NAPHTHOL
CAS No: 85136-31-8 Catalog No: AG004R7F MDL No:
Product Description
Catalog Number:
AG004R7F
Chemical Name:
4-[(DIMETHYLPHENYL)AZO]-1-NAPHTHOL
CAS Number:
85136-31-8
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
IUPAC Name:
4-[(2,3-dimethylphenyl)diazenyl]naphthalen-1-ol
InChI:
InChI=1S/C18H16N2O/c1-12-6-5-9-16(13(12)2)19-20-17-10-11-18(21)15-8-4-3-7-14(15)17/h3-11,21H,1-2H3
InChI Key:
BBIIRLWNQVIANV-UHFFFAOYSA-N
SMILES:
Cc1c(C)cccc1N=Nc1ccc(c2c1cccc2)O
EC Number:
285-755-6
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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