(R)-(+)-4-Bromomandelonitrile

• CAS: 150521-30-5
• Catalog Number: ACM150521305
• Category: Bromine Series
• Molecular Weight: 212.043340 [g/mol]
• Molecular Formula: C8H6BrNO
• Synonyms: (R)-(+)-4-Bromomandelonitrile, 150521-30-5, PubChem17476
• IUPAC Name: (2R)-2-(4-bromophenyl)-2-hydroxyacetonitrile
• Canonical SMILES: C1=CC(=CC=C1C(C#N)O)Br
• InChI Key: AYTVNJIUMVFUCJ-QMMMGPOBSA-N
• Exact Mass: 210.96300
• H-Bond Acceptor: 2
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of (R)-(+)-4-Bromomandelonitrile?

The molecular formula is C8H6BrNO.

What is the molecular weight of (R)-(+)-4-Bromomandelonitrile?

The molecular weight is 212.04 g/mol.

What is the IUPAC name of (R)-(+)-4-Bromomandelonitrile?

The IUPAC name is (2R)-2-(4-bromophenyl)-2-hydroxyacetonitrile.

What is the InChI of (R)-(+)-4-Bromomandelonitrile?

The InChI is InChI=1S/C8H6BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H/t8-/m0/s1.

What is the InChIKey of (R)-(+)-4-Bromomandelonitrile?

The InChIKey is AYTVNJIUMVFUCJ-QMMMGPOBSA-N.

What are the computed properties of (R)-(+)-4-Bromomandelonitrile?

The computed properties include molecular weight, XLogP3-AA, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and compound is canonicalized.

What is the XLogP3-AA value of (R)-(+)-4-Bromomandelonitrile?

The XLogP3-AA value is 1.7.

How many hydrogen bond donor counts does (R)-(+)-4-Bromomandelonitrile have?

(R)-(+)-4-Bromomandelonitrile has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does (R)-(+)-4-Bromomandelonitrile have?

(R)-(+)-4-Bromomandelonitrile has 2 hydrogen bond acceptor counts.

Is (R)-(+)-4-Bromomandelonitrile a canonicalized compound?

Yes, (R)-(+)-4-Bromomandelonitrile is a canonicalized compound.