1-Bromoadamantane

• Catalog Number: ACM768901
• Product Name: 1-Bromoadamantane
• CAS: 768-90-1
• Category: Bromine Series
• IUPAC Name: 1-bromoadamantane
• Molecular Weight: 215.13g/mol
• Molecular Formula: C10H15Br
• Canonical SMILES: C1C2CC3CC1CC(C2)(C3)Br
• InChI: InChI=1S/C10H15Br/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
• InChI Key: VQHPRVYDKRESCL-UHFFFAOYSA-N
• Complexity: 144
• Covalently-Bonded Unit Count: 1
• EC Number: 212-200-7
• Exact Mass: 214.03571g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 11
• Monoisotopic Mass: 214.03571g/mol
• NSC Number: 527914
• Rotatable Bond Count: 0
• XLogP3: 3.6

Custom Q&A

What is the PubChem CID for 1-Bromoadamantane?

PubChem CID: 79106

What is the molecular formula of 1-Bromoadamantane?

Molecular Formula: C10H15Br

What is the molecular weight of 1-Bromoadamantane?

Molecular Weight: 215.13 g/mol

What is the IUPAC name of 1-Bromoadamantane?

IUPAC Name: 1-bromoadamantane

What is the InChI of 1-Bromoadamantane?

InChI: InChI=1S/C10H15Br/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2

What is the InChIKey of 1-Bromoadamantane?

InChIKey: VQHPRVYDKRESCL-UHFFFAOYSA-N

What is the canonical SMILES of 1-Bromoadamantane?

Canonical SMILES: C1C2CC3CC1CC(C2)(C3)Br

What is the CAS number of 1-Bromoadamantane?

CAS Number: 768-90-1

What is the XLogP3 value of 1-Bromoadamantane?

XLogP3 Value: 3.6

Is 1-Bromoadamantane a canonicalized compound?

Yes, 1-Bromoadamantane is a canonicalized compound.