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304016-67-9 | Tetradecanoic acid, 2-bromo-, phenyl ester
CAS No: 304016-67-9 Catalog No: AG00300D MDL No:
Product Description
Catalog Number:
AG00300D
Chemical Name:
Tetradecanoic acid, 2-bromo-, phenyl ester
CAS Number:
304016-67-9
Molecular Formula:
C20H31BrO2
Molecular Weight:
383.3629
IUPAC Name:
phenyl 2-bromotetradecanoate
InChI:
InChI=1S/C20H31BrO2/c1-2-3-4-5-6-7-8-9-10-14-17-19(21)20(22)23-18-15-12-11-13-16-18/h11-13,15-16,19H,2-10,14,17H2,1H3
InChI Key:
ZOLXSSDSQHKIQP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(C(=O)Oc1ccccc1)Br
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.151g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.37g/mol
Monoisotopic Mass:
382.151g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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