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89201-90-1 | Benzeneundecanoic acid, 4-bromo-
CAS No: 89201-90-1 Catalog No: AG0046BE MDL No:
Product Description
Catalog Number:
AG0046BE
Chemical Name:
Benzeneundecanoic acid, 4-bromo-
CAS Number:
89201-90-1
Molecular Formula:
C17H25BrO2
Molecular Weight:
341.2832
IUPAC Name:
11-(4-bromophenyl)undecanoic acid
InChI:
InChI=1S/C17H25BrO2/c18-16-13-11-15(12-14-16)9-7-5-3-1-2-4-6-8-10-17(19)20/h11-14H,1-10H2,(H,19,20)
InChI Key:
PRVHNIHTBLVKPO-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCc1ccc(cc1)Br
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.104g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.289g/mol
Monoisotopic Mass:
340.104g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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