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18992-01-3 | Acetic acid, 2-bromo-, tetradecyl ester
CAS No: 18992-01-3 Catalog No: AG002E4C MDL No:
Product Description
Catalog Number:
AG002E4C
Chemical Name:
Acetic acid, 2-bromo-, tetradecyl ester
CAS Number:
18992-01-3
Molecular Formula:
C16H31BrO2
Molecular Weight:
335.3201
IUPAC Name:
tetradecyl 2-bromoacetate
InChI:
InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-16(18)15-17/h2-15H2,1H3
InChI Key:
JBGQZMPANSYTHT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOC(=O)CBr
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.151g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.326g/mol
Monoisotopic Mass:
334.151g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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