CAS
902137-99-9 Purity
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902137-99-9 Purity
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2H-Tetrazolium,5-cyano-2,3-bis(4-methylphenyl)-,chloride(1:1)
CAS
90217-02-0
Catalog Number
ACM90217020
Category
Other Products
Molecular Weight
311.77
Molecular Formula
C16H14N5.Cl
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Specification
Synonyms
90217-02-0, 5-Cyano-2,3-di-(p-tolyl)tetrazolium chloride, 5-Cyano-2,3-di-(p-tolyl)tetrazolium chloride, 80%, 5-Cyano-2,3-bis(4-methylphenyl)-2H-tetrazolium chloride, SureCN338974, AC1MC775, 94498_FLUKA, 94498_SIGMA, BIC1455, AG-H-69558, FT-0620348, 2,3-bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile chloride
IUPAC Name
2,3-bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile;chloride
Canonical SMILES
CC1=CC=C(C=C1)N2N=C(N=[N+]2C3=CC=C(C=C3)C)C#N.[Cl-]
InChI Key
SSJZAXOTLCJNLF-UHFFFAOYSA-M
Exact Mass
312.10200
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
4
H-Bond Donor
0
Safety Description
26
What is the molecular formula of 2H-Tetrazolium,5-cyano-2,3-bis(4-methylphenyl)-,chloride(1:1)?
The molecular formula is C16H16ClN5.
When was the compound created and last modified?
It was created on 2016-02-10 and last modified on 2023-12-30.
What are the synonyms of 2H-Tetrazolium,5-cyano-2,3-bis(4-methylphenyl)-,chloride(1:1)?
The synonyms are 2H-Tetrazolium,5-cyano-2,3-bis(4-methylphenyl)-,chloride(1:1).
What is the molecular weight of the compound?
The molecular weight is 313.78 g/mol.
How many hydrogen bond donor counts are there in the compound?
There is 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts are there in the compound?
There are 4 hydrogen bond acceptor counts.
What is the exact mass of the compound?
The exact mass is 313.1094232 g/mol.
How many rotatable bond counts are there in the compound?
There are 2 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 47.1 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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