4-Fluoro-3-(1H-tetrazol-1-yl)aniline

CAS

924871-65-8

Catalog Number

ACM924871658

Category

Other Products

Molecular Weight

179.154443 [g/mol]

Molecular Formula

C7H6FN5

MSDS COA Spec Sheet

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Specification

Synonyms

4-fluoro-3-(1H-tetrazol-1-yl)aniline, ST081088, 924871-65-8, 4-fluoro-3-(1,2,3,4-tetraazolyl)phenylamine, AGN-PC-015OWO, CTK5H1310, MolPort-004-294-849, 4-fluoro-3-(tetrazol-1-yl)aniline, SBB014958, STK744349, ZINC12428528, AKOS000112627, AG-H-79006, MCULE-2670645556, KB-242063, 4-Fluoro-3-(1H-tetraazol-1-yl)phenylamine

IUPAC Name

4-fluoro-3-(tetrazol-1-yl)aniline

Canonical SMILES

C1=CC(=C(C=C1N)N2C=NN=N2)F

InChI Key

XPSODQMGPYLMFZ-UHFFFAOYSA-N

Boiling Point

399.598ºC at 760 mmHg

Flash Point

195.47ºC

Density

1.588g/cm³

Exact Mass

179.06100

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 4-Fluoro-3-(1H-tetrazol-1-yl)aniline?

The molecular formula of 4-Fluoro-3-(1H-tetrazol-1-yl)aniline is C7H6FN5.

When was the PubChem CID for 4-Fluoro-3-(1H-tetrazol-1-yl)aniline created?

The PubChem CID for 4-Fluoro-3-(1H-tetrazol-1-yl)aniline was created on 2007-11-13.

What is the IUPAC name of 4-Fluoro-3-(1H-tetrazol-1-yl)aniline?

The IUPAC name of 4-Fluoro-3-(1H-tetrazol-1-yl)aniline is 4-fluoro-3-(tetrazol-1-yl)aniline.

What is the InChIKey for 4-Fluoro-3-(1H-tetrazol-1-yl)aniline?

The InChIKey for 4-Fluoro-3-(1H-tetrazol-1-yl)aniline is XPSODQMGPYLMFZ-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does 4-Fluoro-3-(1H-tetrazol-1-yl)aniline have?

4-Fluoro-3-(1H-tetrazol-1-yl)aniline has 5 hydrogen bond acceptor counts.

What is the exact mass of 4-Fluoro-3-(1H-tetrazol-1-yl)aniline?

The exact mass of 4-Fluoro-3-(1H-tetrazol-1-yl)aniline is 179.06072337 g/mol.

Does 4-Fluoro-3-(1H-tetrazol-1-yl)aniline have any defined atom stereocenter count?

No, 4-Fluoro-3-(1H-tetrazol-1-yl)aniline does not have any defined atom stereocenter count.

What is the topological polar surface area of 4-Fluoro-3-(1H-tetrazol-1-yl)aniline?

The topological polar surface area of 4-Fluoro-3-(1H-tetrazol-1-yl)aniline is 69.6 Å².

How many rotatable bond counts does 4-Fluoro-3-(1H-tetrazol-1-yl)aniline have?

4-Fluoro-3-(1H-tetrazol-1-yl)aniline has 1 rotatable bond count.

Is 4-Fluoro-3-(1H-tetrazol-1-yl)aniline considered a canonical compound in PubChem?

Yes, 4-Fluoro-3-(1H-tetrazol-1-yl)aniline is considered a canonical compound in PubChem.