UNC7467

CAT: 0127-BUP09086-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP09086-03Size:25 mg

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

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CAS Number

2922283-43-8

Purity

=98%

Smiles

O=C(O)C1=CC2=C(C3=CC=C(C4=CC=CC=C4)C=C3)ON=C2C=C1

Chemical Information

CID 164887496

CAS Number	2922283-43-8
PubChem CID	164887496
IUPAC Name	3-(4-phenylphenyl)-2,1-benzoxazole-5-carboxylic acid
Molecular Formula	C20H13NO3
Molecular Weight	315.3
XLogP	4.5
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	440

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C=C(C=CC4=NO3)C(=O)O

InChI

InChI=1S/C20H13NO3/c22-20(23)16-10-11-18-17(12-16)19(24-21-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)

InChIKey

FGCSKRKOSIKUGT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2922283-43-8

CID: 164887496

Formula: C20H13NO3

MW: 315.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	315.3
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	315.08954328
Monoisotopic Mass	315.08954328
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	440
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

Catalog	Name
T60164-01	UNC7467