PSB-12062

CAT: 0127-BUP15633-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15633-03Size:25 mg

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

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CAS Number

55476-47-6

Synonyms

N- (p-Methylphenylsulfonyl) phenoxazine

Purity

=98%

Smiles

Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12

Chemical Information

Psb-12062

CAS Number	55476-47-6
PubChem CID	2320735
IUPAC Name	10-(4-methylphenyl)sulfonylphenoxazine
Molecular Formula	C19H15NO3S
Molecular Weight	337.4
XLogP	4.2
Topological Polar Surface Area	55
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	513

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3OC4=CC=CC=C42

InChI

InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3

InChIKey

DHZNMEIBMACSFH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55476-47-6

CID: 2320735

Formula: C19H15NO3S

MW: 337.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.4
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	337.07726451
Monoisotopic Mass	337.07726451
Topological Polar Surface Area	55 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	513
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