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99474-02-9 | 4-Bromoheptanophenone, 97%
CAS No: 99474-02-9 Catalog No: AG003KZY MDL No:MFCD00276567
Product Description
Catalog Number:
AG003KZY
Chemical Name:
4-Bromoheptanophenone, 97%
CAS Number:
99474-02-9
Molecular Formula:
C13H17BrO
Molecular Weight:
269.1775
MDL Number:
MFCD00276567
IUPAC Name:
1-(4-bromophenyl)heptan-1-one
InChI:
InChI=1S/C13H17BrO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10H,2-6H2,1H3
InChI Key:
LDVBFPQTLJKTLV-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)c1ccc(cc1)Br
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.182g/mol
Monoisotopic Mass:
268.046g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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