Fat brown RR

CAT: 0024-sc-215031Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-215031Size:25 g

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CAS Number

6416-57-5

Chemical Information

C.I. 11285

Sudan Brown RR is a member of azobenzenes.

CAS Number	6416-57-5
PubChem CID	62608
IUPAC Name	4-(naphthalen-1-yldiazenyl)benzene-1,3-diamine
Molecular Formula	C16H14N4
Molecular Weight	262.31
XLogP	3.6
Topological Polar Surface Area	76.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	343

SMILES

C1=CC=C2C(=C1)C=CC=C2N=NC3=C(C=C(C=C3)N)N

InChI

InChI=1S/C16H14N4/c17-12-8-9-16(14(18)10-12)20-19-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,17-18H2

InChIKey

AHWMWMNEYBHQNL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6416-57-5

CID: 62608

Formula: C16H14N4

MW: 262.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.31
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	262.121846464
Monoisotopic Mass	262.121846464
Topological Polar Surface Area	76.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	343
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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