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6253-10-7 | Disperse Orange 13
CAS No: 6253-10-7 Catalog No: AG003PRI MDL No:
Product Description
Catalog Number:
AG003PRI
Chemical Name:
Disperse Orange 13
CAS Number:
6253-10-7
IUPAC Name:
4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenol
InChI:
InChI=1S/C22H16N4O/c27-18-12-10-17(11-13-18)24-26-22-15-14-21(19-8-4-5-9-20(19)22)25-23-16-6-2-1-3-7-16/h1-15,27H
InChI Key:
FWTBRYBHCBCJEQ-UHFFFAOYSA-N
EC Number:
228-381-0
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.397g/mol
Monoisotopic Mass:
352.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
Literature
| Title | Journal |
|---|---|
| Specificity in structure-based drug design: identification of a novel, selective inhibitor of Pneumocystis carinii dihydrofolate reductase. | Proteins 19970901 |
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