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100048-86-0 | Hexanoic acid, 2-(bromomethyl)-2-butyl-
CAS No: 100048-86-0 Catalog No: AG0000OG MDL No:MFCD18206921
Product Description
Catalog Number:
AG0000OG
Chemical Name:
Hexanoic acid, 2-(bromomethyl)-2-butyl-
CAS Number:
100048-86-0
Molecular Formula:
C11H21BrO2
Molecular Weight:
265.1872
MDL Number:
MFCD18206921
IUPAC Name:
2-(bromomethyl)-2-butylhexanoic acid
InChI:
InChI=1S/C11H21BrO2/c1-3-5-7-11(9-12,10(13)14)8-6-4-2/h3-9H2,1-2H3,(H,13,14)
InChI Key:
OBRLODQYQTZCSP-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)O)(CCCC)CBr
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.191g/mol
Monoisotopic Mass:
264.072g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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