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100960-69-8 | Hexanoic acid, 2-bromo-2-methyl-
CAS No: 100960-69-8 Catalog No: AG0003BG MDL No:
Product Description
Catalog Number:
AG0003BG
Chemical Name:
Hexanoic acid, 2-bromo-2-methyl-
CAS Number:
100960-69-8
Molecular Formula:
C7H13BrO2
Molecular Weight:
209.0809
IUPAC Name:
2-bromo-2-methylhexanoic acid
InChI:
InChI=1S/C7H13BrO2/c1-3-4-5-7(2,8)6(9)10/h3-5H2,1-2H3,(H,9,10)
InChI Key:
CBDGLHGPNJMCQK-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)(CCCC)Br
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.01g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.083g/mol
Monoisotopic Mass:
208.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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