BML 257

CAT: 0926-FD22514-02Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-FD22514-02Size:0.5 g

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CAS Number

32387-96-5

Synonyms

2,3-Diphenyl-6-carboxyquinoxaline;2,3-Diphenyl-6-quinoxalinecarboxylic acid;2,3-Diphenylquinoxaline-6-carboxylic acid

MDL Number

MFCD00555042

Smiles

C1=CC=C (C=C1) C2=NC3=C (C=C (C=C3) C (=O) O) N=C2C4=CC=CC=C4

Molecular Formula

C21H14N2O2

Molecular Weight

326.35 g/mol

Controlled

Chemical Information

2,3-Diphenylquinoxaline-6-carboxylic acid

2,3-diphenyl-6-quinoxalinecarboxylic acid is a quinoxaline derivative.

CAS Number	32387-96-5
PubChem CID	629852
IUPAC Name	2,3-diphenylquinoxaline-6-carboxylic acid
Molecular Formula	C21H14N2O2
Molecular Weight	326.3
XLogP	4.1
Topological Polar Surface Area	63.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	457

SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=CC=C4

InChI

InChI=1S/C21H14N2O2/c24-21(25)16-11-12-17-18(13-16)23-20(15-9-5-2-6-10-15)19(22-17)14-7-3-1-4-8-14/h1-13H,(H,24,25)

InChIKey

LFWGZXMTCUOPFI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32387-96-5

CID: 629852

Formula: C21H14N2O2

MW: 326.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	326.3
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	326.105527694
Monoisotopic Mass	326.105527694
Topological Polar Surface Area	63.1 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	457
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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BML 257

Chemical Information

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