Disperse orange 13

CAT: 0024-sc-214920ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-214920ASize:5 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

6253-10-7

Chemical Information

Disperse Orange 13

CAS Number	6253-10-7
PubChem CID	22625
IUPAC Name	4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenol
Molecular Formula	C22H16N4O
Molecular Weight	352.4
XLogP	6.4
Topological Polar Surface Area	69.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	508

SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C3=CC=CC=C32)N=NC4=CC=C(C=C4)O

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

InChIKey

FWTBRYBHCBCJEQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6253-10-7

CID: 22625

Formula: C22H16N4O

MW: 352.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	352.4
XLogP3	6.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	352.13241115
Monoisotopic Mass	352.13241115
Topological Polar Surface Area	69.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	508
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes