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119105-72-5 | Decanoic acid, 6-bromo-, methyl ester
CAS No: 119105-72-5 Catalog No: AG000I88 MDL No:
Product Description
Catalog Number:
AG000I88
Chemical Name:
Decanoic acid, 6-bromo-, methyl ester
CAS Number:
119105-72-5
Molecular Formula:
C11H21BrO2
Molecular Weight:
265.1872
IUPAC Name:
methyl 6-bromodecanoate
InChI:
InChI=1S/C11H21BrO2/c1-3-4-7-10(12)8-5-6-9-11(13)14-2/h10H,3-9H2,1-2H3
InChI Key:
YZNKIVYVQZDKPX-UHFFFAOYSA-N
SMILES:
CCCCC(CCCCC(=O)OC)Br
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.191g/mol
Monoisotopic Mass:
264.072g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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