(S)-Benzyl 1-bromopropan-2-ylcarbamate

• CAS: 53843-95-1
• Catalog Number: ACM53843951
• Category: Bromine Series
• Molecular Weight: 272.138360 [g/mol]
• Molecular Formula: C₁₁H₁₄BrNO₂
• Synonyms: 53843-95-1, AKOS016014434, RL03995, (S)-benzyl 1-bromopropan-2-ylcarbamate, AK129362, (S)-Benzyl (1-bromopropan-2-yl)carbamate
• IUPAC Name: benzyl N-[(2S)-1-bromopropan-2-yl]carbamate
• InChI Key: BSADFGJODFYVIW-VIFPVBQESA-N
• Exact Mass: 271.02100
• H-Bond Acceptor: 2
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of (S)-Benzyl 1-bromopropan-2-ylcarbamate?

The molecular formula is C11H14BrNO2.

What are the synonyms for (S)-Benzyl 1-bromopropan-2-ylcarbamate?

The synonyms are benzyl (S)-(1-bromopropan-2-yl)carbamate, BENZYL N-[(2S)-1-BROMOPROPAN-2-YL]CARBAMATE, (S)-benzyl 1-bromopropan-2-ylcarbamate.

What is the molecular weight of (S)-Benzyl 1-bromopropan-2-ylcarbamate?

The molecular weight is 272.14 g/mol.

What is the IUPAC name of (S)-Benzyl 1-bromopropan-2-ylcarbamate?

The IUPAC name is benzyl N-[(2S)-1-bromopropan-2-yl]carbamate.

What is the InChI of (S)-Benzyl 1-bromopropan-2-ylcarbamate?

The InChI is InChI=1S/C11H14BrNO2/c1-9(7-12)13-11(14)15-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)/t9-/m0/s1.

What is the InChIKey of (S)-Benzyl 1-bromopropan-2-ylcarbamate?

The InChIKey is BSADFGJODFYVIW-VIFPVBQESA-N.

What is the canonical SMILES of (S)-Benzyl 1-bromopropan-2-ylcarbamate?

The canonical SMILES is CC(CBr)NC(=O)OCC1=CC=CC=C1.

What is the isomeric SMILES of (S)-Benzyl 1-bromopropan-2-ylcarbamate?

The isomeric SMILES is C[C@@H](CBr)NC(=O)OCC1=CC=CC=C1.

What is the XLogP3-AA value of (S)-Benzyl 1-bromopropan-2-ylcarbamate?

The XLogP3-AA value is 2.6.

Is (S)-Benzyl 1-bromopropan-2-ylcarbamate a canonicalized compound?

Yes, (S)-Benzyl 1-bromopropan-2-ylcarbamate is canonicalized.