Pigment Red 112, Technical grade

CAT: 0024-sc-482116Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-482116Size:1 g

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CAS Number

6535-46-2

Chemical Information

Pigment Red 112

CAS Number	6535-46-2
PubChem CID	23034
IUPAC Name	3-hydroxy-N-(2-methylphenyl)-4-[(2,4,5-trichlorophenyl)diazenyl]naphthalene-2-carboxamide
Molecular Formula	C24H16Cl3N3O2
Molecular Weight	484.8
XLogP	8.2
Topological Polar Surface Area	74.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	32
Formal Charge	0
Complexity	681

SMILES

CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC(=C(C=C4Cl)Cl)Cl

InChI

InChI=1S/C24H16Cl3N3O2/c1-13-6-2-5-9-20(13)28-24(32)16-10-14-7-3-4-8-15(14)22(23(16)31)30-29-21-12-18(26)17(25)11-19(21)27/h2-12,31H,1H3,(H,28,32)

InChIKey

JQNJCQYNSLCFAC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6535-46-2

CID: 23034

Formula: C24H16Cl3N3O2

MW: 484.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	484.8
XLogP3	8.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	483.030810
Monoisotopic Mass	483.030810
Topological Polar Surface Area	74.1 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	681
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

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