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88931-97-9 | Benzoic acid, 4-[(10-bromodecyl)oxy]-
CAS No: 88931-97-9 Catalog No: AG0048RZ MDL No:
Product Description
Catalog Number:
AG0048RZ
Chemical Name:
Benzoic acid, 4-[(10-bromodecyl)oxy]-
CAS Number:
88931-97-9
Molecular Formula:
C17H25BrO3
Molecular Weight:
357.2826
IUPAC Name:
4-(10-bromodecoxy)benzoic acid
InChI:
InChI=1S/C17H25BrO3/c18-13-7-5-3-1-2-4-6-8-14-21-16-11-9-15(10-12-16)17(19)20/h9-12H,1-8,13-14H2,(H,19,20)
InChI Key:
ZYKVPTIEKHXMMK-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCCCOc1ccc(cc1)C(=O)O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.099g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.288g/mol
Monoisotopic Mass:
356.099g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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