CAS
91648-76-9 Purity
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91648-76-9 Purity
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Benzonitrile,2-amino-5-fluoro-4-methyl-
CAS
916514-05-1
Catalog Number
ACM916514051
Category
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What is the molecular formula for Benzonitrile,2-amino-5-fluoro-4-methyl?
The molecular formula is C8H7FN2.
What is the molecular weight of Benzonitrile,2-amino-5-fluoro-4-methyl?
The molecular weight is 150.15 g/mol.
What is the IUPAC name of Benzonitrile,2-amino-5-fluoro-4-methyl?
The IUPAC name is 2-amino-5-fluoro-4-methylbenzonitrile.
What is the InChI of Benzonitrile,2-amino-5-fluoro-4-methyl?
The InChI is InChI=1S/C8H7FN2/c1-5-2-8(11)6(4-10)3-7(5)9/h2-3H,11H2,1H3.
What is the InChIKey of Benzonitrile,2-amino-5-fluoro-4-methyl?
The InChIKey is SROOYYDPEYDFEY-UHFFFAOYSA-N.
What is the canonical SMILES of Benzonitrile,2-amino-5-fluoro-4-methyl?
The canonical SMILES is CC1=CC(=C(C=C1F)C#N)N.
What is the XLogP3-AA value of Benzonitrile,2-amino-5-fluoro-4-methyl?
The XLogP3-AA value is 2.
How many hydrogen bond donor counts does Benzonitrile,2-amino-5-fluoro-4-methyl have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does Benzonitrile,2-amino-5-fluoro-4-methyl have?
It has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does Benzonitrile,2-amino-5-fluoro-4-methyl have?
It has 0 rotatable bond counts.
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CAS
916488-42-1 Purity
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916488-42-1 Purity
96%
