Name: Name:Methyl 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxylate
Brand: Angene
SKU: AG0039O5
Rating: 90 (10 reviews)

Methyl 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxylate

CAS No.:

217448-86-7

Catalog Number:

AG0039O5

Molecular Formula:

C11H9F2N3O2

Molecular Weight:

253.2049

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Product Description

Catalog Number:

AG0039O5

Chemical Name:

Methyl 1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxylate

CAS Number:

217448-86-7

Molecular Formula:

C11H9F2N3O2

Molecular Weight:

253.2049

MDL Number:

MFCD16659092

IUPAC Name:

methyl 1-[(2,6-difluorophenyl)methyl]triazole-4-carboxylate

InChI:

InChI=1S/C11H9F2N3O2/c1-18-11(17)10-6-16(15-14-10)5-7-8(12)3-2-4-9(7)13/h2-4,6H,5H2,1H3

InChI Key:

XVEURJOWGBWEPY-UHFFFAOYSA-N

SMILES:

COC(=O)c1nnn(c1)Cc1c(F)cccc1F

EC Number:

917-714-1

UNII:

6K1724ZSGB

Properties

Complexity:

296

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.066g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.209g/mol

Monoisotopic Mass:

253.066g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Methyl 1-(2,6-difluoro-benz-yl)-1H-1,2,3-triazole-4-carboxyl-ate.	Acta crystallographica. Section E, Structure reports online 20110401

Properties