CAS
99470-03-8 Purity
96%
99470-03-8 Purity
96%
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1-Bromo-4-N-heptanoylbenzene
CAS
99472-02-9
Catalog Number
ACM99472029
Category
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What is the molecular formula of 1-Bromo-4-N-heptanoylbenzene?
The molecular formula is C13H17BrO.
What is the molecular weight of 1-Bromo-4-N-heptanoylbenzene?
The molecular weight is 269.18 g/mol.
What is the IUPAC name of 1-Bromo-4-N-heptanoylbenzene?
The IUPAC name is 1-(4-bromophenyl)heptan-1-one.
What is the InChIKey of 1-Bromo-4-N-heptanoylbenzene?
The InChIKey is LDVBFPQTLJKTLV-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 1-Bromo-4-N-heptanoylbenzene have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 1-Bromo-4-N-heptanoylbenzene have?
It has 1 hydrogen bond acceptor count.
What is the topological polar surface area of 1-Bromo-4-N-heptanoylbenzene?
The topological polar surface area is 17.1 Å2.
How many rotatable bond counts does 1-Bromo-4-N-heptanoylbenzene have?
It has 6 rotatable bond counts.
Is 1-Bromo-4-N-heptanoylbenzene a canonicalized compound?
Yes, it is a canonicalized compound.
What is the exact mass of 1-Bromo-4-N-heptanoylbenzene?
The exact mass is 268.04628 g/mol.
What is the InChI of 1-Bromo-4-N-heptanoylbenzene?
The InChI is InChI=1S/C13H17BrO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10H,2-6H2,1H3.
What is the Canonical SMILES of 1-Bromo-4-N-heptanoylbenzene?
The Canonical SMILES is CCCCCCC(=O)C1=CC=C(C=C1)Br.
What is the CAS number of 1-Bromo-4-N-heptanoylbenzene?
The CAS number is 99474-02-9.
What is the XLogP3-AA value of 1-Bromo-4-N-heptanoylbenzene?
The XLogP3-AA value is 4.7.
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