CAS 1006608-03-2 1,3,5-Tri-p-(tetrazol-5-yl)phenylbenzene

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1,3,5-Tri-p-(tetrazol-5-yl)phenylbenzene

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Catalog Number

ACM1006608032-1

CAS Number

1006608-03-2

Product Name

1,3,5-Tri-p-(tetrazol-5-yl)phenylbenzene

Category

Nitrogen-containing MOF ligand-ternary nitrogen-containing MOF ligand

IUPAC Name

5-[4-[3,5-bis[4-(2H-tetrazol-5-yl)phenyl]phenyl]phenyl]-2H-tetrazole

Molecular Weight

510.5g/mol

Molecular Formula

C27H18N12

InChI

InChI=1S/C27H18N12/c1-7-19(25-28-34-35-29-25)8-2-16(1)22-13-23(17-3-9-20(10-4-17)26-30-36-37-31-26)15-24(14-22)18-5-11-21(12-6-18)27-32-38-39-33-27/h1-15H,(H,28,29,34,35)(H,30,31,36,37)(H,32,33,38,39)

InChI Key

CGCMZTOFKIYWDN-UHFFFAOYSA-N

Complexity

652

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

510.17773863g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

510.17773863g/mol

Rotatable Bond Count

Topological Polar Surface Area

163Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

4.4

MSDS

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COA

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Spec Sheet

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