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89201-85-4 | Benzeneundecanoic acid, 3-bromo-
CAS No: 89201-85-4 Catalog No: AG00456Y MDL No:
Product Description
Catalog Number:
AG00456Y
Chemical Name:
Benzeneundecanoic acid, 3-bromo-
CAS Number:
89201-85-4
Molecular Formula:
C17H25BrO2
Molecular Weight:
341.2832
IUPAC Name:
11-(3-bromophenyl)undecanoic acid
InChI:
InChI=1S/C17H25BrO2/c18-16-12-9-11-15(14-16)10-7-5-3-1-2-4-6-8-13-17(19)20/h9,11-12,14H,1-8,10,13H2,(H,19,20)
InChI Key:
RRXBXGUNMCRNTP-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCc1cccc(c1)Br
Properties
Complexity:
255
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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