Home Halogens 2-Heptanone, 1-bromo-

2-Heptanone, 1-bromo-

CAS No.:
16339-93-8
Catalog Number:
AG001U2Y
Molecular Formula:
C7H13BrO
Molecular Weight:
193.0815
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Product Description
Catalog Number:
AG001U2Y
Chemical Name:
2-Heptanone, 1-bromo-
CAS Number:
16339-93-8
Molecular Formula:
C7H13BrO
Molecular Weight:
193.0815
MDL Number:
MFCD00233012
IUPAC Name:
1-bromoheptan-2-one
InChI:
InChI=1S/C7H13BrO/c1-2-3-4-5-7(9)6-8/h2-6H2,1H3
InChI Key:
RCTWZRNOJCMIDN-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)CBr
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:
2.6  
Properties