Home Halogens 7-bromoheptan-2-one

7-bromoheptan-2-one

CAS No.:
50775-02-5
Catalog Number:
AG01AUP7
Molecular Formula:
C7H13BrO
Molecular Weight:
193.0815
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Product Description
Catalog Number:
AG01AUP7
Chemical Name:
7-bromoheptan-2-one
CAS Number:
50775-02-5
Molecular Formula:
C7H13BrO
Molecular Weight:
193.0815
MDL Number:
MFCD20621204
IUPAC Name:
7-bromoheptan-2-one
InChI:
InChI=1S/C7H13BrO/c1-7(9)5-3-2-4-6-8/h2-6H2,1H3
InChI Key:
OBHYAAHXAGULJT-UHFFFAOYSA-N
SMILES:
BrCCCCCC(=O)C
Properties
Complexity:
81  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.015g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.084g/mol
Monoisotopic Mass:
192.015g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Tri- and pentacalix[4]pyrroles: synthesis, characterization and their use in the extraction of halide salts. Chemistry (Weinheim an der Bergstrasse, Germany) 20120213
Properties