CAS
90772-55-7 Purity
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90772-55-7 Purity
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(S)-a-Bromo-a-(4-methyl phenyl)-acetonitril
CAS
90775-10-3
Catalog Number
ACM90775103
Category
Other Products
Molecular Weight
210.070520 [g/mol]
Molecular Formula
C9H8BrN
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Specification
Synonyms
90775-10-3, 2-bromo-2-p-tolylacetonitrile, SureCN9501885, A19295, (S)-alpha-Bromo-alpha-(4-methylphenyl)-acetonitrile
IUPAC Name
2-bromo-2-(4-methylphenyl)acetonitrile
InChI Key
YBIQPQMYTPHDFH-UHFFFAOYSA-N
Exact Mass
208.98400
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of (S)-a-Bromo-a-(4-methyl phenyl)-acetonitril?
The molecular formula is C9H8BrN.
What is the molecular weight of (S)-a-Bromo-a-(4-methyl phenyl)-acetonitril?
The molecular weight is 210.07 g/mol.
What is the IUPAC name of (S)-a-Bromo-a-(4-methyl phenyl)-acetonitril?
The IUPAC name is (2S)-2-bromo-2-(4-methylphenyl)acetonitrile.
What is the InChI of (S)-a-Bromo-a-(4-methyl phenyl)-acetonitril?
The InChI is InChI=1S/C9H8BrN/c1-7-2-4-8(5-3-7)9(10)6-11/h2-5,9H,1H3/t9-/m1/s1.
What is the InChIKey of (S)-a-Bromo-a-(4-methyl phenyl)-acetonitril?
The InChIKey is YBIQPQMYTPHDFH-SECBINFHSA-N.
What is the canonical SMILES of (S)-a-Bromo-a-(4-methyl phenyl)-acetonitril?
The canonical SMILES is CC1=CC=C(C=C1)C(C#N)Br.
What is the isomeric SMILES of (S)-a-Bromo-a-(4-methyl phenyl)-acetonitril?
The isomeric SMILES is CC1=CC=C(C=C1)[C@@H](C#N)Br.
What is the XLogP3-AA value of (S)-a-Bromo-a-(4-methyl phenyl)-acetonitril?
The XLogP3-AA value is 2.8.
How many hydrogen bond donor counts does (S)-a-Bromo-a-(4-methyl phenyl)-acetonitril have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does (S)-a-Bromo-a-(4-methyl phenyl)-acetonitril have?
It has 1 hydrogen bond acceptor count.
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