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21436-52-2 | 1-Bromohexadecan-2-one
CAS No: 21436-52-2 Catalog No: AG003E5K MDL No:MFCD07777089
Product Description
Catalog Number:
AG003E5K
Chemical Name:
1-Bromohexadecan-2-one
CAS Number:
21436-52-2
Molecular Formula:
C16H31BrO
Molecular Weight:
319.3207
MDL Number:
MFCD07777089
IUPAC Name:
1-bromohexadecan-2-one
InChI:
InChI=1S/C16H31BrO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h2-15H2,1H3
InChI Key:
ICZYLTOWIBJLIK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC(=O)CBr
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.156g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.327g/mol
Monoisotopic Mass:
318.156g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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