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6287-90-7 | Methyl 11-bromoundecanoate
CAS No: 6287-90-7 Catalog No: AG00355B MDL No:MFCD00045047
Product Description
Catalog Number:
AG00355B
Chemical Name:
Methyl 11-bromoundecanoate
CAS Number:
6287-90-7
Molecular Formula:
C12H23BrO2
Molecular Weight:
279.2138
MDL Number:
MFCD00045047
IUPAC Name:
methyl 11-bromoundecanoate
InChI:
InChI=1S/C12H23BrO2/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h2-11H2,1H3
InChI Key:
HFNPVFKUZYCDIB-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCCCC(=O)OC
NSC Number:
12015
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.218g/mol
Monoisotopic Mass:
278.088g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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