Disperse Orange 29

CAT: 0024-sc-493238Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-493238Size:1 g

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CAS Number

19800-42-1

Chemical Information

Phenol, 4-(2-(2-methoxy-4-(2-(4-nitrophenyl)diazenyl)phenyl)diazenyl)-

CAS Number	19800-42-1
PubChem CID	88254
IUPAC Name	4-[[2-methoxy-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenol
Molecular Formula	C19H15N5O4
Molecular Weight	377.4
XLogP	4.9
Topological Polar Surface Area	125
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	551

SMILES

COC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])N=NC3=CC=C(C=C3)O

InChI

InChI=1S/C19H15N5O4/c1-28-19-12-15(22-20-13-2-7-16(8-3-13)24(26)27)6-11-18(19)23-21-14-4-9-17(25)10-5-14/h2-12,25H,1H3

InChIKey

PTIVACHGVHIMMK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19800-42-1

CID: 88254

Formula: C19H15N5O4

MW: 377.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	377.4
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	377.11240398
Monoisotopic Mass	377.11240398
Topological Polar Surface Area	125 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	551
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